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Hello Dr. Lu,

I am using the DSSR-pro and the work flow you provided to create a multiple copy of a 3bp RNA (attached), I was wondering if it is possible to use the DSSR to create the lost backbone connections.


x3dna-dssr tasks -i=model.pdb --frame-pair=last -o=model1-ref-last.pdb

x3dna-dssr fiber --seq=GG --rna-ds -o=conn.pdb
x3dna-dssr tasks -i=conn.pdb --frame-pair=first --remove-pair -o=ref-conn.pdb

x3dna-dssr tasks --merge-file='model1-ref-last.pdb ref-conn.pdb' -o=temp1.pdb

x3dna-dssr tasks -i=temp1.pdb --frame-pair=last --remove-pair -o=temp2.pdb
x3dna-dssr tasks -i=model.pdb --frame-pair=first -o=model1-ref-first.pdb

x3dna-dssr tasks --merge-file='temp2.pdb model1-ref-first.pdb' -o=duplicate-model.pdb

RNA structures (DSSR) / error in rebuild command
« on: May 05, 2021, 04:27:42 pm »
Hello Dr. Xiangjun,

following the example in "np_recipes/R2_roll_bending" I am trying to use the rebuild command to create an image like those provided (Figure3_r300.png) for my RNA systems which are highly bent.

After preparing the input file to execute the following commnad:
 rebuild roll_a.dat roll_a_raw.alc
I receive an error message: unknown residue slide

so I just ran the same command on the example file provided in the "R2_roll_bending" dir (roll_a.dat) and I get the same error message.

I was wondering if I could use your help.

Thanks in forward.


Hello Dr. Xiang-Jun,

I am using the DSSR to analyze a RNA structure (54 bps) with multiple repeats of (AUUCU) seq incorporating multiple 3x3 internal loops. As the structure is highly dynamic, many of the loops do not satisfy the conditions needed to be treated as a base-pair and naturally are skipped by the DSSR.
is there any way, other than manipulating the parameters which are used in DSSR to account for a base-pair, to force the DSSR to analyze all the 54 base-pairs irrespective of the defined criteria for base-pairs.

Thanks for your help.


General discussions (Q&As) / create RNA sequence syn nucleosides
« on: August 09, 2019, 07:00:14 pm »
I have a question and I was wondering if you could help.
I want to make a small RNA with the sequence 5' UCAA*GA with the complementary seq. as 3' AGUC*CA. I want to make all four possible combinations of this sequence with the starred  nucleosides (A* and C*) being in the syn-syn, syn-anti, anti-syn & anti-anti (which is the standard form with fiber).
Is there any way that I can create these systems with x3dna.

Thanks in forward.

Best regards,

RNA structures (DSSR) / --nmr option with --get-hbond & --analyze
« on: July 26, 2019, 07:23:15 pm »
Hello Dr. Xiang-Jun,

I have a pdb file which contains 100 frames. I have used the --non-pair option with --nmr to analyze all frames and got the output for each frame but using the same combination of commands for --get-hbond & --analyze dose not work with --nmr.

The command is:
x3dna-dssr -i=comb.pdb --get-hbond --nmr -o=Hbonds_analysis.dat

--get-hbond is overwritten by --nmr and no H-bond analysis is done (the same with --analyze). So the following is the header of stacking analysis:

Command: x3dna-dssr -i=md_comb.pdb --non-pair --nmr -o=stacking_analysis.txt

File name: md_comb.pdb

and the following is for H-bond analysis:     

Command: x3dna-dssr -i=md_comb.pdb --nmr -o=Hbonds_analysis.txt
Date and time: Fri Jul 26 18:50:59 2019
File name: md_comb.pdb

though I have used the --get-hbond option it does not appear in the output provided by DSSR and no h-bond analysis is done.

So I was wondering if you could help me with my problem.

Thanks in forwrad.

General discussions (Q&As) / locked nucleic acids/fiber
« on: July 02, 2019, 04:47:53 pm »

I have a question regarding the fiber option of 3DNA. Is it possible to add standard locked nucleotides or user modified ones to the fiber data base so one can create RNA structures which is a mix of standard and locked nucleotides. 
For example I have a regular sequence of "AACGU" and I wand to change the second "A" to "LA", assuming I have the pdb information of "LA".
Thanks in forward for your help.

Best regards,

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