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71
FAQs / Re: Where to download x3DNA
« Last post by xclin on June 20, 2021, 11:02:25 pm »
Hi,

I also encountered the same issue. I have registered a long time ago and used to be able to see the Download page. However, when I tried to download it just now, the page does not show up. Could I be granted the access again?

Thanks,
Xingcheng
72
Hi Louis,

Thank you for confirming. The CTV website now has the DSSR Pro v2.3.1-2021jun01 available. If you have previously downloaded a version, please update to the latest version. If you have any questions, please let me know.

I greatly appreciate your support of the DSSR project by purchasing a Pro license. I sincerely hope you will find the quality of the software and my support to be well worth the money you have invested.

Best regards,

Xiang-Jun

73
Yes, this is what i expect.
74
Hi Louis,

Thank you for letting us know which browsers work and which don't when it comes to accessing the CTV websites. I've forwarded your findings to the DSSR-affiliated CTV support team. I'm guessing the problem isn't specific to the DSSR website on CTV, but rather a problem that affects a variety of websites.

Quote
My spotted case is 4w29 (a large ribosome), i am looking at chain BA, which starts with index_chain = 77, following chain AX's index_chain = 76.
I checked, the chains are not contiguous in space, nothing indicates they could be linked together. Other chains in the structure start at 1.

Now back to your initial question. I think it is a bug in DSSR that is only triggered in a rare case like 4w29: AX is an RNA chain, however, it has VAL77 at the end, as shown below:
ATOM   60690  C  C8    . A   X  24 76   ? 55.433   -163.384 92.500  1.00 140.84 ?  76   A   AX C8    1
ATOM   60691  N  N7    . A   X  24 76   ? 55.656   -163.215 91.217  1.00 141.03 ?  76   A   AX N7    1
ATOM   60692  C  C5    . A   X  24 76   ? 54.538   -162.520 90.779  1.00 141.71 ?  76   A   AX C5    1
ATOM   60693  C  C6    . A   X  24 76   ? 54.160   -162.033 89.512  1.00 142.30 ?  76   A   AX C6    1
ATOM   60694  N  N6    . A   X  24 76   ? 54.901   -162.183 88.412  1.00 143.14 ?  76   A   AX N6    1
ATOM   60695  N  N1    . A   X  24 76   ? 52.983   -161.377 89.410  1.00 142.62 ?  76   A   AX N1    1
ATOM   60696  C  C2    . A   X  24 76   ? 52.240   -161.228 90.513  1.00 142.49 ?  76   A   AX C2    1
ATOM   60697  N  N3    . A   X  24 76   ? 52.490   -161.642 91.754  1.00 142.54 ?  76   A   AX N3    1
ATOM   60698  C  C4    . A   X  24 76   ? 53.665   -162.290 91.829  1.00 141.84 ?  76   A   AX C4    1
ATOM   60699  N  N     . VAL X  24 77   ? 50.042   -163.172 98.420  1.00 50.64  ?  77   VAL AX N     1
ATOM   60700  C  CA    . VAL X  24 77   ? 51.296   -162.409 98.368  1.00 47.13  ?  77   VAL AX CA    1
ATOM   60701  C  C     . VAL X  24 77   ? 52.559   -163.283 98.400  1.00 44.56  ?  77   VAL AX C     1
ATOM   60702  O  O     . VAL X  24 77   ? 52.567   -164.326 99.054  1.00 40.69  ?  77   VAL AX O     1
ATOM   60703  C  CB    . VAL X  24 77   ? 51.361   -161.302 99.446  1.00 46.79  ?  77   VAL AX CB    1
ATOM   60704  C  CG1   . VAL X  24 77   ? 50.129   -160.404 99.438  1.00 47.04  ?  77   VAL AX CG1   1
ATOM   60705  C  CG2   . VAL X  24 77   ? 51.655   -161.873 100.828 1.00 46.46  ?  77   VAL AX CG2   1


With DSSR v2.3.1-2021jun01 (to be released), the index_chain starts at 1 instead of 77 for chain BA. Is that what you'd expect? Please confirm.

Best regards,

Xiang-Jun
75
Hi,

The page works in Chromium and Chrome, works in Opera, and does not work in Firefox, Edge, or Vivaldi. I have no macOS computer to test Safari, sorry.

Louis
76
Site announcements / Clarification on DSSR licensing
« Last post by xiangjun on May 31, 2021, 01:58:55 pm »
Once in a while I receive emails from prospective users, both commercial and academic, about DSSR licensing from the Columbia Technology Venture (CTV). Louis made the following explicit suggestion in a recent thread titled "Bug or feature (?) : residue numbering not understood":

Quote from: Louis
I suggest you summarize the content of the [CTV] page in a forum post, to provide a reliable source of information about DSSR licensing, maybe?

There are two types of DSSR Pro licenses, as shown below:
  • Commercial users may inquire about pricing and licensing terms by emailing techtransfer@columbia.edu (and CC to xiangjun@x3dna.org).

  • Academic users can obtain DSSR Pro for a one-time fee of $1000, which includes a comprehensive user manual and one year of developer support as set forth in the license agreement. Please contact techtransfer@columbia.edu (and CC to xiangjun@x3dna.org). DSSR Pro has completely superseded 3DNA, and is being continuously improved.
Users of DSSR Pro, both commercial and academic, receive first-rate support directly from the developer. The open 3DNA Forum, private email, and virtual meetings are all options for contact, depending on what is most convenient for the users.

The free DSSR Basic academic license is no longer available as of November 11, 2021. Due to a lack of government funding, only DSSR Pro is offered for academic and commercial usage as outlined above. For further information, please visit the CTV DSSR website.

Xiang-Jun
77
Hi Louis,

Thank you for your input! The blank-page screenshot of the CTV DSSR website using the browsers/OSes you tested is surprising. It's possible that using HTTP rather than HTTPS is a problem. The 3DNA Forum, on the other hand, uses HTTP rather than HTTPS and apparently you can access it without difficulty.

I just tried using Firefox and discovered that the DSSR website on CTV was blocked by default, and I had to add columbia.edu to my trusted sites list to see the landing page. I've mostly used Safari and Chrome (on macOS) at work and haven't had any issues. As an example, see the screenshot from the CTV DSSR website. Because Chrome and Safari account for such a large percentage of browser usage, the CTV and many users may be unaware of the problem. Could you please try Chrome and Safari and report back your findings?

I'll inform the CTV team tomorrow (today is Memorial Day in the United States) about the access issue and the use of HTTP rather than HTTPs. Hopefully, things will turn around.

Best regards,

Xiang-Jun
78
Dear Xiang-Jun, dear CTV team,

Attached to this post a screenshot of the page at URL http://innovation.columbia.edu/technologies/CU20391/ when i open it in Mozilla Firefox (tested on Linux and Windows 10) or Microsoft Edge (Windows 10).
Firefox version : 88.0.1 (but i had the same issue in past months with past versions)
Edge version : 91.0.864.37 (but same)


(Also notice the lack of HTTPS.)

Hope this helps,

Louis
79
RNA structures (DSSR) / Re: Incorrect topology assignment
« Last post by xiangjun on May 28, 2021, 09:52:45 pm »
Quote
Ok, I'll check these structures,

Please do. The more concrete examples, the better.

Quote
but it looks like our discussion goes beyond the canonical G-quadruplex structures (think in Webb da Silva's convention), hence the problems.

That is correct. Even 'canonical' G4 structures in the PDB have more complicated topologies than the Webb da Silva formalism allows. This is where DSSR can play a significant role: It can be used consistently on all G4s, and any "inconsistencies" are worth investigating further. Either DSSR needs to be improved (which I'd be delighted to do) or the structures themselves have some oddities (which is far more likely).

Quote
I look forward to the update if everything will be clearly explain in the publication. However, I hope that the "new convention" will be consistent with eg interpretations of CD spectra.

Do not expect to see a DSSR publication on G4 structures that have "everything clearly explained". For one thing, I have no idea on how a convention can "be consistent with eg interpretations of CD spectra". I simple do not have that expertise. Furthermore, the first DSSR paper dedicated to G4s may not be submitted/published anytime soon.

Quote
Unfortunately I am using the basic version of DSSR,  I have to think about buying the PRO version.

Hopefully, the DSSR Basic version and DSSR-G4DB have already been of some help to your project. If you decide to go for DSSR Pro, I may add an option that is tailored to your need.

There are many publications on structural analysis, annotations, and nomenclature of G4. If you find other free or more cost effective options, please let us know.

Best regards,

Xiang-Jun
80
RNA structures (DSSR) / Re: Incorrect topology assignment
« Last post by kogucior on May 28, 2021, 11:35:38 am »
Ok, I'll check these structures, but it looks like our discussion goes beyond the canonical G-quadruplex structures (think in Webb da Silva's convention), hence the problems.
I look forward to the update if everything will be clearly explain in the publication. However, I hope that the "new convention" will be consistent with eg interpretations of CD spectra.
Unfortunately I am using the basic version of DSSR,  I have to think about buying the PRO version.
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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.