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Miscellaneous items => FAQs => Topic started by: xiangjun on July 14, 2017, 12:44:23 pm

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Title: How to set up 3DNA on Windows
Post by: xiangjun on July 14, 2017, 12:44:23 pm
3DNA v2.3 and previous versions contain a suite of programs, and associated data files. Setting up 3DNA is intended to be a simple process for those with command-line experience: it entails creating an environment variable named X3DNA to point to where 3DNA is stored, and an updated PATH that includes the $X3DNA/bin directory. The whole process is facilitated by a Ruby script, x3dna_setup, and should take no more than a few minutes.

With Linux and Mac OS, setting up 3DNA has normally not been an issue. For Windows, however, the situation is more complicated than desired. Cygwin or MinGW/MSYS is the preferred way to run 3DNA on Windows, but each requires the installation of a big package and the ending environment is not familiar to Windows users. By far, the most frequent and longest threads on the Forum are on how to properly set up 3DNA on Windows, initiated by new users who have no experience in command-line interface.

As of 3DNA v2.3.1-2017jun24, the compiled .exe files in the tarball x3dna-v2.3-mingw-win.tar.gz should run in native Windows (i.e. without Cygwin or MinGW/MSYS) via the command prompt. However, the default Windows command prompt (cmd.exe) is a dinosaur and awkward to use. I played with Windows PowerShell a bit, but it gave some surprises with processing of command-line options. The win-bash (http://win-bash.sourceforge.net) shell may be a choice, or one can install Bash on Windows 10 (https://itsfoss.com/install-bash-on-windows/).

In the long run, when the 'Bash on Windows' becomes a default, the whole issue of setting 3DNA will on longer exist any more. In the meantime, this FAQ entry provides detailed instruction on how to set up 3DNA v2.3 on native Windows (tested on Windows 7).


If you notice any problem, please post below with details.
Title: Re: How to set up 3DNA on Windows
Post by: Hari Seldon on July 14, 2017, 05:51:28 pm
I installed on Windows and got to the end just fine until find_pair -h

linux@DESKTOP-JS6SA18 C:\Users\linux
> find_pair -h
'find_pair' is not recognized as an internal or external command,
operable program or batch file.

I also tried installing 3DNA On Linux (including Mac OS X, or Cygwin on Windows)
http://forum.x3dna.org/howtos/how-to-install-3dna-on-linux-and-windows/

And it all worked until find_pair -h

linux@DESKTOP-JS6SA18 /cygdrive/d/Documents/NYU/Projects/Gunsalus/Code/3DNA/Linux/x3dna-v2.3/bin
$ ./find_pair -h
-bash: ./find_pair: cannot execute binary file: Exec format error
Title: Re: How to set up 3DNA on Windows
Post by: xiangjun on July 14, 2017, 05:58:07 pm
Quote
> find_pair -h
'find_pair' is not recognized as an internal or external command,
operable program or batch file.

The error message means that the PATH is not set properly. Probably the X3DNA environment variable is not set correctly either.

I've just finished the FAQ, with corrections with initial draft versions. You may be following an early version of the post. Could you please try again, following the steps, and report back if it works? Please use screenshot as necessary.

Also, what Windows version are you using?

Best regards,

Xiang-Jun
Title: Re: How to set up 3DNA on Windows
Post by: Hari Seldon on July 14, 2017, 07:06:49 pm
I am using Windows 10.

Download ConEmu Stable, Installer (32-bit, 64-bit) - 5.23 MB | version: 161206 | File Signatures

(https://lh3.googleusercontent.com/gy-nVzzH-cmVeHs1dQ3FQlrGOF2tMO4o3MaYECiSVkapZ8Wjr4pcNCIUeyXvVBuSvKwWzJq1CPD_95LyseBnrn7ITDaYn00G2mGmR9ED2pcinHYJFDVNS4rF0YinL_nLyz9_e-P-sNUSzRAcA-G9YFzCKR6EZ8_zko2wjMcVqudPGfJ6x7QHAN2cqtGk9C2Pkv3KT5fcmng0ZqsDOCzw--bJbcmvGmsKVok2VkWy_kvpZy51rIOKhdPJQ5BOSIG2x-7Q82lO1apClRg11YK0mnBv8u2GbZCu4TDAIi8K_1JAhO2TACjoMoIYOKQp38x55WiytRiWP4Za1TjYg20RXPsqmjeaINdtcCVTWnoEwJmd6Y7LSV0Mj45MRmKcp0Jf7tGr0giLtFIQaC_PMYPFyVrzHyjvdoNJOxjGo6UOHhVh78JYtyku7eO3wBTG0CDJNgS-nmoc0n5AynVY91y0lUZuWAoF_U7_ccMI3zb1yHctJ2krExebAVMk393iKrZ3WCu96BluIVArlvlKJGemoVEIiQpUfMeboWAxgQ06y0K5L8Nnuy4r6z51ewpkWQEkg-_juLn7fxX1OtZ-SGOiM_UqEAfbYGGq2nnl1MPrh2GozfBPwOCC915YYk2brx4AhBqm2ajatXp9KpHgJtI5TSCfEgcQ8nDd-g70acu5hodgqQ=w417-h315-no)

Ruby 2.4.1-2 (x64)

(https://lh3.googleusercontent.com/cfrxo5-NpodKOPYgdMHXuHjIXqaSW1SRrcYbq-cHlDbrL11O3v6EmNryzqayfCNgML4VrunzbOGX93p4npUxIsz_o2E9Bgr37MhnsE0mSi6yrFy2Wnm23zVgyahoVNIILZBtbEGzqZogHjLUy62ii6-LLJaS2At4PKAcbEzVS59RYQlOKMXT-RuOIObrsr4CsAjkFbWDTwFx0z80R_lUr3TmA-EC-Fafhq1Ndyg6mvwChG2szCQgmtP6gjBj72ZltIz0JcaygvUj2NwrGv034Py5PlY0sIWaT2P9p9CAGJn_Fks3xuy1PPKGqxu4TBKM3dPNUcLSbaTHfcAn4PZQbUmgXXMZ0Lk0f_362G3K4vGBch9_mjxWA0dHxYUgN3pApS2x3dpyER-9XKmBmsBlDANSZa---UE8droEHpoxN1D8Sr1n6754wd_UaXGrTQ42UWEMBrTiqb_N48eDKtdv0FltC2hsLLqT7eI6ZAxHZjw60qKYAIcJqe1x0fzpZb-HExgNr8nTR_161fXUDhwpNRWwsSv8jfLbBFwyf_pjhWztXIPIf78kJolgbcXmMc-Vw68_BV4Gp8I45JkXFOWnJ7_rKWWkq_PoxJrWZjlbf80z2WKkmZETBrwf=w499-h387-no)

RubyInstaller2

(https://lh3.googleusercontent.com/tvoLw0ghjV_bh_H2l8JpqayYY4wOEX1L0IeIrLz-SLsSouudiqJnbNWxza-DDtLvtplXkY4zQ2IfZw1ScUDbW6bpMo97-6vGmr5euVXZ2XxthZMR4_EprxhyFTRFJUR5a81sotqFLh3mElQb5YJ0Ye_D0Om2GpjbQO8Q1TWE6edSAPFGNomS6y6jYcUYIsCLIsWDgaXKXQ7FaboGQupFXhU7tNNnob4-nXuD5JY7xxsy7_kZhLqk4etNc2Ws3gYF0uorpSfxdH3uGc3YtgLChaiP9KZQelXBZvcIHh8wRKYj69YDHMzh0jjDUhTJEb8LLt5vSGwgkh9ZMimgxHB0dtTCg5U0GZ8Qf7Oee9MTj-zF4UjTgLbm5R0BqMKSjfNA9iBlKA5uLgrg0SZGmWhhzN5EWa1fAC4Ge0mmoyJlLzKmSahtZxzb-QBEjaXALo1uZJQYMp8JkpB2Bl-TNWiKDo2sjMfkCBNl-rSHnl7MIKL9AUdj8fADCEb02zvIAuck1M99ppWfMGg1LGHo1oTstnFu9U4oHyHOrpo4AK51fxixCu7813sb3wHlKfO6I084OaHRqwDAHsEpb8jlZtdUlNjuguBsc36vbngbM4gF2FunW7__2ymRrBiu=w979-h434-no)

Download the Windows version of 3DNA v2.3, the x3dna-v2.3.zip file

(https://lh3.googleusercontent.com/x-NOuefKqMqp3EQA7E1jMYI1f0SB5aDEO_cOoniiEo8BH1XVUjXC2BW3lCJdb4LsE8roVshGr-jQ_x3aTLSX1FvgZRZgQmC0fLdJcH02HWqzO62hwhFXxmT581jLp-ockGU1_Ij7xQ_4C9LuVuX1Hxh7d05pbyNddIJEqHcd9TDXIayYUwFl4GD-617eKkRzJNmstxgz40aVZ6e__I0WwKLIY-xJyQr8RUwahapgvI3n3aIzqLdWXmAqYtCmpuyI0pNX9BiNiW5m4BNuwX_615gTNHlG9RnA9QPNz2K3RPYJOKsgiolv9hk4c4Ygod3IXky8sisIHU-UP1CEu290-5BcwUk16Ia2_UTn9YWIUBe7HIm9AJbClow0FJmCwh5SefOmUBgx99VkKtVgFHp6pJ6TlNy-wMWQPBsZ21_IbwBnek0JJL6kLihk7HswcsFueLT51p3cs8cqhB9ukEoCo2t3evlAuUZP9-FZ667RkSVh_uYMGoqN3KNsNxcBw5NPRPop-HcMZv-i8rza_BDG5Xd61vu56l0HX19v-zvrUwFUyg2iY9aDYW4Ncj3_8-WXolNgJSuqmCqL1L40cBWArjN3JXZUGcG3sOt1mdyvzWVDKaFnIH5ibHRX=w956-h727-no)

(https://lh3.googleusercontent.com/lO2IY-S9w57cT1j5IDLMlzB9fkWJkeilqipgNFmql4rLzseoBgVeq7kJuFQE1en7kwjiOLheeczhlsGmf1xwnMlxWZiIcYoym7KEz63Ec_md13bf0_j2-7i-sOYpjkZaok1u1LCn-qU2fZVQSc2StQueEd6CCyPLoH7vzt9v2j1huE8hwhVLuakduaEEoiIy8DW-I78KFSii1BUmrY888BnafYlgTWg1cGQ3SEhqdk91AIQRvdNt9-1fjaQBmlpFYbvWIkF461OZkakLhrVqdPTjhaGoQHfUCBoSMwD6AVbwYZo0-rQUHxMQcwOY9Pvf21HAlHTNrPqUdlJvUvDKxyNVyYr6prkN3cJH1tja6P-l0lP7F_665dzrm08P-8TYSVak1Mrz8x_5tb8m7EeJ1wzBLhC3ysra5GdlrF8I0eTeJ7S-U9alSnwrADCYVQcAeOrawyxL4tCo0dyRs4r9gWzPjbKN2HcEzWjnt53EO4d86h0qoVR8O158O9JLhUPyPYFFkPmj_xRdHirF2Bsd7MetZzyCvbSt5U-dIkGp9EaWiOg8-b5rnJXSMf_XX-s3kCzTzpq04QlRqvWGNRulhQ_AN_zIHZlDHmvKzGQR832PVBVdj_ffgcw9=w956-h727-no)

Set the X3DNA environment variable and update the PATH

(https://lh3.googleusercontent.com/Nbt3fgsqQDDcD2SiW6H0D-pDlT9QHBr_j-JlWeACsCrGpSMriARTBAjRfOchzWczDrLVnXDuw0dS5F7AJmz7l4JJNzACJPRM-PGpgO4OWeintlo9iNqS9jQ-zC97lgBYsZqbU9utjkpjW885Z4xe7jU-pmBZgrR8d4sJqyoq248S3naQk4dMHynX1WJ9pBesLis_FOaPG9YCMZi6WW9mRgF1GMGL817f_XwCDDH_mKnCEiaJ9aWX5hRQl62KOCMEzaBc-ndIb1fm5zT4z1WMOZaCiYFX7M1dnVkWCSRukk5e6Adtg5Lti0me8DQoz5yvo8FU1qKUt--eBgoiXI4Uscub0eucr1z_6Q_BePA4K0yi9hrGgv90CQxZdUcnBsP17K7XM_B4mqIZyxfIAT1aWs_X1MIJ1Wkzrxb2Y7_PxPEir-aeO-3fM79MTld_kLSUvMqZHeFngHZGSAxsx6cQ36d5d7g6UGtjmKjevCO7Wa7Ohf_r_lQCHZJJ771-BugjSAwoN4xG3Rcaqd4XLYG0W1nRI6gwsROV4_YngK8spImpjt-tsMvaUZ8OoAjyOj19joEg9WiQ7W7Q9aAJzep8Zzt_qhbGZSgWWI_WVbtSbc6b-hNclI1PPE3_=w618-h585-no)

(https://lh3.googleusercontent.com/qh2KGNItxQNZHa6hb1KynfV9UPamaBPMdtSQX3w3LgvnIKMDNaYG1zqhKRIRr8PKkoh7USf-Ut7YjBxW8Y9N_zOTWMFJ_QTTi-POE3HSSIMaYSV5IGjDxp7F3BSIi8Zxo7ZpTcc0BqnCGGq6FLzm92f8KbawwsSDqU1kDfjk_vYE-NgGMVKhbDUqOTZPQyxyRl1ilQ7rJzbZMWkMbqOmPrv5BOAz_889F9VuJyirnwEM7Tz2lEHTzG482htFsiqNK7tPC-UptJaO9fhdcqM1Byv2pAoKm6mxnq4whv4L0I8tpc5Wkexy_6grxpuDZjAINvHhaPvsnjs_i9nX7zjCxiNRmkWN-kpqrwbtVAywx1iep0pZQDA0hy6K9IsdUuLL9zAcJttLOHDCcX5F0n5rmJfShM-4mTjercO6Biz1rCA8to-YIZmiPkP07ZlF3QcF5f1NUJNbTPl96rfUrjZkCnixOMSY9GsCnGoZRxg9KTyCBKpOs3wi6mPCizosyW27xK061jZCHSgbKLN8XvpvBaubiMvN0qSUqzLijKa1EHRxH_i1uXs1e5ENEdsfnT7UXpIV3-S7Zq5k948Dz4bM5N8Sc2TRDqZIWerPL7Oe1TsbPGtpFrAsRMA3=w527-h501-no)

(https://lh3.googleusercontent.com/5LQAnzQ-MSvGPVjHuy2V4HpchCKgJSmOyou1A8avvxwJmSJxT4oN0AqQLYUMfWoQkob3ENCIUt3NW6GCTDZgIJBVMVlwQIPuztyb1c_L_S-ZL7AS7B4rwJryp8yEHwXUJsN7i6vJmPlMCoeuU-vqoFG9rBbzFlb67Y-bwhBlirTXtxqhEBCMRBveaj_MKLJd3aw7bhLgYvtIvC6nmaPGp2sNWf89kSyAyFsxUAKXMaVdO6AMI5NcnoVNUb0y6gxEzpCnd9ejZNoqh0W6XXy07PnwoA1ZrWK9laEgGiA8F4iGz_9J6D3T5vmyfzmrcDu0KfN9zakn27zOWvAw_RYG2twcLrg-Agtln2Z5PpZvmyOo_MgFjhdvRiKhwJK9Fap0C4Sq7R1VUamhhVEU9nR0CI6H5kUOh0PLUjaVbZgBgRCpmJAZ5-zmA0VDPKM0EXqluDD4J-K7K_5nJGGnqA_kK2z_2csgltA2I66fVWILmMyiHqBmpPCY8e96Y4Jl73Kn4wYp3WMim-d-lbaR1zb1Ln7WIr1NIJHsRXxRpA6xWlrRD-fu9r7fF23yM2XI8ANO60_lbOU_fRQ8TV92NllpVcmAPN5BJSRBnmj5u5A-aHZeXC8OETqP7jfT=w642-h499-no)
Title: Re: How to set up 3DNA on Windows
Post by: xiangjun on July 14, 2017, 08:30:59 pm
Thanks for the detailed screenshots. It is weird. Things should not be that hard. Let's work together to sort things out.

Could you please do the following:


What's your output?

Xiang-Jun
Title: Re: How to set up 3DNA on Windows
Post by: Hari Seldon on July 14, 2017, 09:15:46 pm
Microsoft Windows [Version 10.0.15063]

linux@DESKTOP-JS6SA18 C:\Users\linux
> echo %X3DNA%
D:\Documents\NYU\Projects\Gunsalus\Code\3DNA\x3dna-v2.3\

linux@DESKTOP-JS6SA18 C:\Users\linux
>
Title: Re: How to set up 3DNA on Windows
Post by: xiangjun on July 14, 2017, 09:56:56 pm
The X3DNA environment variable looks right. The problem could be due to missing the %X3DNA%\bin folder in PATH.

To verify, what the output from running the following commands (in ConEmu terminal):

Code: [Select]
dir %X3DNA%\bin
%X3DNA%\bin\find_pair

Xiang-Jun
Title: Re: How to set up 3DNA on Windows
Post by: Hari Seldon on July 15, 2017, 12:38:20 pm
Microsoft Windows [Version 10.0.15063]

linux@DESKTOP-JS6SA18 C:\Users\linux
> dir %X3DNA%\bin
 Volume in drive D is DATA
 Volume Serial Number is 1A46-D28D

 Directory of D:\Documents\NYU\Projects\Gunsalus\Code\3DNA\x3dna-v2.3\bin

06/24/2017  11:47 AM    <DIR>          .
06/24/2017  11:47 AM    <DIR>          ..
               0 File(s)              0 bytes
               2 Dir(s)  395,301,408,768 bytes free

linux@DESKTOP-JS6SA18 C:\Users\linux
> %X3DNA%\bin\find_pair
'D:\Documents\NYU\Projects\Gunsalus\Code\3DNA\x3dna-v2.3\\bin\find_pair' is not recognized as an internal or external command,
operable program or batch file.
Title: Re: How to set up 3DNA on Windows
Post by: xiangjun on July 15, 2017, 01:40:49 pm
From your previous reply,

Code: [Select]
> echo %X3DNA%
D:\Documents\NYU\Projects\Gunsalus\Code\3DNA\x3dna-v2.3\

Now you've

Code: [Select]
> dir %X3DNA%\bin
 Volume in drive D is DATA
 Volume Serial Number is 1A46-D28D

 Directory of D:\Documents\NYU\Projects\Gunsalus\Code\3DNA\x3dna-v2.3\bin

06/24/2017  11:47 AM    <DIR>          .
06/24/2017  11:47 AM    <DIR>          ..
               0 File(s)              0 bytes
               2 Dir(s)  395,301,408,768 bytes free

This is UNEXPECTED -- "0 File(s)" within %X3DNA%\bin.

The dir %X3DNA%\bin command should list the 3DNA executable files in directory "D:\Documents\NYU\Projects\Gunsalus\Code\3DNA\x3dna-v2.3\bin", as shown below in my case.

(http://docs.x3dna.org/images/dir-bin-listing.png)

Could you do the following, to make sure you have 3DNA installed in the folder:

Code: [Select]
    REM this command should change you to the 3DNA directory --- this is a REMark (comment line)
cd %X3DNA%

    REM this command lists the content of the folder (%X3DNA%)
dir

    REM this command lists content of the examples folder within 3DNA
dir examples

Best regards,

Xiang-Jun



Title: Re: How to set up 3DNA on Windows
Post by: Hari Seldon on July 15, 2017, 04:14:46 pm
I needed to re-extract x3dna-v2.3.zip because at first I just hit the extract button on the zip file then it creates D:\Documents\NYU\Projects\Gunsalus\Code\3DNA\x3dna-v2.3\x3dna-v2.3 and then I copied and pasted the x3dna-v2.3 folder into D:\Documents\NYU\Projects\Gunsalus\Code\3DNA\ to get rid of the duplicate x3dna-v2.3.  That extraction and copy-paste created empty directories somehow.

What worked was not extracting at all and just entering the zip file and cut and pasting the x3dna-v2.3 folder from the zip file into D:\Documents\NYU\Projects\Gunsalus\Code\3DNA\.  After that find_pair -h works (see below), however there was a strange message I got while cut and pasting

(https://lh3.googleusercontent.com/P39fIotuIrEPneidTMVrV4s-0UmnrJ7XEN5nnwVZ-sgDh1uszQi9k4jNYmYVH6IiTkbrmWEwcADKtB38ohLkNq5X4RHkFxnv1Q4ijCb-mMSdlZwO3akQTS8teyfGTjjE21TYIhmf05WmkWa-kxcPu0E-YZeOcjBLL0D1csZC4WJ0rCbT0hctZzfqCNtr_1qVfJAWFo2-G1sZGs_hpQ1b2Lyj8UkjtXXD3p0gyDPviGXt3t_0tPcRv6sy_2iMbi89K1U7V38G4Esapys_kiGlaA5uaxmsx7atWHuDR2UTLIhvRFJiRpDOhtAHvBnnMNaMQHBnr9JEqhHO-2i6yb8wz4eU8c-b025Rnut-DIBoL18MMabsZRr9n3ZKb57efKCVXfKeBZV6RLnLCwIK3nX4il8ldhn73hGP8KGGfAZtVL3DXtW7PSNmw83e5O5sFjr9l8S7P70DRwcuQ0AqziQWmDCJu5AL1CBwXjprUC5d3Ojy7Z6Pukl_S1kj247n5IdJSOwOtupc97sR_MqxNP5Zn69AN4S3aeXRMZTHJKRgRvUnQEey7TUlje8hw0jOh-88zP0iNUQada5r480W920tActpkjF-BjrnV9riMukx3Fsu6hI6GtqdhwOJ=w449-h285-no)

I let the files overwrite.



Microsoft Windows [Version 10.0.15063]

linux@DESKTOP-JS6SA18 C:\Users\linux
> find_pair -h
===========================================================================
NAME
        find_pair - locate base-pairs and helical regions
SYNOPSIS
        find_pair [OPTION] PDBFILE OUTFILE
DESCRIPTION
        locate base-pairs and helical regions given a PDB data file. Its
        output can be directly fed into analyze, cehs and Lavery's Curves
        program.
        -s, -1  treat the whole structure as a continuous single helix.
                Useful for getting all backbone torsion angles
        -c      get Curves input for a duplex
        -c+     get input for Curves+ (duplex, ATOM records only)
        -d      generate a separate output file for each helical region
        -p      find all base-pairs and higher-order base associations
        -a      read in only the ATOM records, ignoring HETATM records
        -z      more detailed base-pairing information in the output
        -h      this help message (any non-recognized options will do)
INPUT
        PDB data file
        One-letter options can be in either case, any order and combined
EXAMPLES
        find_pair sample.pdb sample.inp
        find_pair -p sample.pdb allbp_list
        find_pair -c+ sample.pdb sample_c+.inp
                  [then run: Cur+ < sample_c+.inp]
OUTPUT
        base-pair listing for input to analyze, cehs and Curves
        bestpairs.pdb, hel_regions.pdb, col_chains.scr, col_helices.scr
        allpairs.pdb, multiplets.pdb, mulbp.inp
SEE ALSO
        analyze, cehs, anyhelix, ex_str, stack2img
AUTHOR
        3DNA v2.3.1-2017jun24, created and maintained by Xiang-Jun Lu (PhD)

Please post questions/comments on the 3DNA Forum: http://forum.x3dna.org/
Please check 'http://x3dna.org/citations' on how to cite 3DNA --- THANKS!
===========================================================================

linux@DESKTOP-JS6SA18 C:\Users\linux
>
Title: Re: How to set up 3DNA on Windows
Post by: xiangjun on July 15, 2017, 07:46:19 pm
Glad to see things work out. The repeated folder name, ...\x3dna-v2.3\x3dna-v2.3, was due to the following two factors:


I noticed this caveat while testing, but before finishing the FAQ entry. You were quick in following the original unpolished content... I've thereafter added a note to remind users to removing the \x3dna-v2.3 portion from the "Extract All..." default setting.

The double \x3dna-v2.3 folder name is actually not a big deal (just looking ugly), once one knows it -- the X3DNA environment variable simply needs to be adjusted accordingly.

Instead of right-click on x3dna-v2.3.zip and then ""Extract All...", one can simply double-click x3dna-v2.3.zip. This will create a \x3dna-v2.3 folder on par with the x3dna-v2.3.zip file. Then one can drag-and-drop the resultant \x3dna-v2.3 folder to a desired location.

Also, the X3DNA environment variable can be set directly in ConEmu terminal. And the PATH can be updated via command line as well. Once one knows the basics, the setting up process can be performed in numerous ways, and be finished in no more than a few minutes.

Xiang-Jun

Title: Re: How to set up 3DNA on Windows
Post by: xiaoxuesheng on July 30, 2018, 10:17:19 pm
Dear XiangJun,
I've configured the environment variables and they're correct, but there won't be ConEmu, and I don't know the basic problem of how ConEmu imports a PDB file.
Can you give me a tutorial on how to use it? Do you have a visual action window, if any, where to use it?
I'm using windows.Thanks.
Title: Re: How to set up 3DNA on Windows
Post by: xiangjun on July 30, 2018, 11:37:13 pm
Hi,

You do not need ConEmu to run 3DNA, even though ConEmu is a much better command-line interface than the native cmd.exe on Windows. Moreover, ConEmu has nothing to do with importing PDB files.

Please follow the steps and show us where you got stuck, preferrable with screenshots.

Best regards,

Xiang-Jun
Title: Re: How to set up 3DNA on Windows
Post by: Beñat Olave on November 06, 2018, 11:30:52 am
Hello, I think there is an error with the update of today:

Benat@SURFACE-OLAVE C:\Users\Benat
$ find_pair -h
open_file <C:\Users\Benat\x3dna-v2.3config/version> failed: No such file or directory

Best regards and thanks for your effort.
Title: Re: How to set up 3DNA on Windows
Post by: xiangjun on November 06, 2018, 11:49:15 am
Hi,

Thanks for reporting. What's the output (or the setting) of your $X3DNA? Did you set it up explicitly? Adding the end slash should do the trick.

I've just tested the new release on Msys2 with Windows 7, and the programs work as expected. There could be some edge cases that need to be taken care of.

Best regards,

Xiang-Jun
Title: Re: How to set up 3DNA on Windows
Post by: xiangjun on November 06, 2018, 12:06:18 pm
As a follow-up, I've just re-installed 3DNA Windows (x3dna-v2.3.zip) in native Windows environment. I'm convinced that if you added the end slash in your setting of the X3DNA environment variable, as noted in step 4.4 (with the screenshot linked below), 3DNA would work as expected. Please have a try and report back your findings.

(http://docs.x3dna.org/images/set-X3DNA-env.png)

Thanks,

Xiang-Jun
Title: Re: How to set up 3DNA on Windows
Post by: Beñat Olave on November 06, 2018, 01:06:47 pm
Hello,

I did it in windows 10 and I think I put everything okay (I followed all the steps presented here with ConEmu):

The output is:
"C:\Users\Benat\x3dna-v2.3\"

I fixed it creating just another folder for config with the name of "x3dna-v2.3config"

I am just learning how to use the program, I have another issue that I will post in bug reports (but probably is my fault)

Edited: Maybe the .zip you tested is not the same as the uploaded one? And that's why there is something missing?

Title: Re: How to set up 3DNA on Windows
Post by: xiangjun on November 06, 2018, 01:18:36 pm
Thanks for reporting back. I'm surprised to see that with ending slash you could (still) have the originally reported problem. With ConEmu, could you please post back the output of the following commands, preferably with a screenshot?

Code: [Select]
echo %X3DNA%
echo %PATH%

I'm glad to see your smart workaround by creating a x3dna-v2.3config folder.

Thanks,

Xiang-Jun
Title: Re: How to set up 3DNA on Windows
Post by: Beñat Olave on November 06, 2018, 01:53:37 pm
Hello, here is the image
Title: Re: How to set up 3DNA on Windows
Post by: xiangjun on November 06, 2018, 03:09:48 pm
Great! Please do the following, and report back with a screenshot:

Code: [Select]
dir %X3DNA%config\version
Thanks,

Xiang-Jun
Title: Re: How to set up 3DNA on Windows
Post by: Beñat Olave on November 06, 2018, 06:15:32 pm
Hello, it says:

"
$ dir %X3DNA%config\version
The volume of unit C has no label.
The serial number of the volume is: A2CF-EF3C
Directory of C:\Users\Benat\x3dna-v2.3\config
05/11/2018  22:15                68 version
               1 file                68 bytes
               0 dirs  101.483.311.104 free bytes
"
Title: Re: How to set up 3DNA on Windows
Post by: xiangjun on November 06, 2018, 07:06:12 pm
Thanks --- the output result is as expected. Then 3DNA should work with the original config folder, without creating a new x3dna-v2.3config folder. Yours is the first reported 'weird' case. Let's see if other 3DNA users have a similar problem in the future.

Best regards,

Xiang-Jun


Title: Re: How to set up 3DNA on Windows
Post by: wei tian on December 27, 2018, 05:53:17 am
Dear Dr.Xiangjun:

I have tried to download the software of 3DNA with versions of both V2.4.0 and v2.3.4, and then extract all the folders from the zip file,but I can't find license.txt file.So, I can't install the software successfully, can you tell me some reasons for this problem?
Title: Re: How to set up 3DNA on Windows
Post by: xiangjun on December 27, 2018, 09:13:08 am
You do not need 'license.txt' to get 3DNA v2.4.0 (or v2.3.4) up and running.

What do you mean that you "install the software successfully"? Please provide details, better with screenshots to show the problem you face unambiguously.

Best regards,

Xiang-Jun

Created and maintained by Dr. Xiang-Jun Lu [律祥俊] (xiangjun@x3dna.org)
The Bussemaker Laboratory at the Department of Biological Sciences, Columbia University.