[Bulk] Re: [gmx-users] How to correct incomplete pdb file
Yang Ye
leafyoung81-group at yahoo.com
Thu Nov 17 04:50:49 CET 2005
Once you have tried it, you will get these questions answered.
Yang Ye
Hiromichi Tsurui wrote:
> Thank you, Tsjerk;
>
> I would like to try. But I have never used a kind of modeler soft.
> Does SwissPDB voewer works as a modeler soft ? Is it possible to save
> corrected pdb file using SwissPDB viewer ? If not, what software is
> available ?
>
> Many Thanks.
>
> Hiromichi
>
> ----- Original Message -----
> *From:* Tsjerk Wassenaar <mailto:tsjerkw at gmail.com>
> *To:* Discussion list for GROMACS users
> <mailto:gmx-users at gromacs.org>
> *Sent:* Thursday, November 17, 2005 6:00 AM
> *Subject:* Re: [gmx-users] How to correct incomplete pdb file
>
>
> Hi Hiromichi,
>
> You have to add missing side chains using a modeler. When you load
> the protein in SwissPDB Viewer, this will automatically be done.
> Be sure to also check the protein for missing residues. This
> should be indicated in the PDB file. The option -ignh is of no use
> at all in this case.
>
> Tsjerk
>
>
> --
>
> Tsjerk A. Wassenaar, M.Sc.
> Groningen Biomolecular Sciences and Biotechnology Institute (GBB)
> Dept. of Biophysical Chemistry
> University of Groningen
> Nijenborgh 4
> 9747AG Groningen, The Netherlands
> +31 50 363 4336
>
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--
/Regards,/
Yang Ye
/Computational Biology Lab
School of Biological Sciences
Nanyang Technological University
Singapore
Tel: 6316-2884
/
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