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How many rifdock can I run at a time on a 64 CPUs and 512GB memory server?

Category: 
Docking

How many rifdock can I run at a time on a 64 CPUs and 512GB memory server?

I tried 8 rif_dock_test running at a time, but I lost connection with my server several hours later(maybe 5 or 6 hours). My guess is the server was overloaded, so that the connection was lost. 

I used uptime command to check out, the system load is nearly 800%, does that mean I can only run one rif_dock at a time?

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Any general way to generate .params file for beta and gamma NCAA?

Category: 
Non-Canonical Peptides

Hi, I wonder if there is a general way to generate the correct params file of new beta and gamma NCAA  ? I am trying to parameterize a customized gamma amino acid residue for GenKIC application. I used the molfile_to_params_polymer.py to generate .params file from the .mol file attached below:

4CG.pdb

 OpenBabel04262311383D

 

 29 28  0  0  1  0  0  0  0  0999 V2000

   -5.3100   -4.8280    2.6840 N   0  0  0  0  0  0  0  0  0  0  0  0

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how to generate _prepro.rama file for a customized beta-amino acid residues?

Category: 
Non-Canonical Peptides

how to generate _prepro.rama file for a customized beta-amino acid residues? I wish to generate a customized beta-amino acid residue for design applications.

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question about antibody modeling and snugdock process option

Category: 
Docking

I am currently working on a simple test with antibodies.

I have a question in this regard, can I use deepab instead of rosetta antibody to create antibody structures? When I looked at the snugdock paper, it seems that there is an additional protocol when using a tool other than rosetta antibody, but I know that deepab creates structures based on rosetta. So I am wondering if I can proceed in the same way as rosetta antibody when using deepab. 

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