[Bulk] Re: [gmx-users] How to correct incomplete pdb file
Hiromichi Tsurui
tsurui at med.juntendo.ac.jp
Thu Nov 17 05:11:08 CET 2005
Thank you, Yang Ye,
Yes, I have just installed SwissPDB Viewer and am using now.
Many thanks,
Hiromichi
----- Original Message -----
From: "Yang Ye" <leafyoung81-group at yahoo.com>
To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
Sent: Thursday, November 17, 2005 12:50 PM
Subject: Re: [Bulk] Re: [gmx-users] How to correct incomplete pdb file
> 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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