[gmx-users] Human Serum Albumin problem

[Florian Haberl]

Hi,

On Wednesday, 9. May 2007 02:20, George Abadir wrote:
> Hi,
>      I have downloaded the 1HA2.pdb (describing human serum albumin)
> file from www.pdb.org and ran pdb2gmx to make a topology file for it. I
> got an error message "Source code file: hizzie.c, line: 267
> Fatal error: Incomplete ring in HIS1". I also tried the '-missing'
> option and '-ignh' option but still that didn't work. Does anybody know
> what it means and how to get around it?
>     Thank you very much in advance,

you should take a look at the structure in your favorite viewer, perhaps some 
residues are missing and/ or are not resolved completly by Xray/ NMR. Take a 
look at REMARKS in this pdb file.

Programs for modelling missing residues are:

Swiss pdb viewer
WHATIF
pymol
vmd


or commercial onces:

MOE 
Accelyrs Discovery Studio


greetings,

Florian


> Regards,
> George
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-- 
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 Florian Haberl                        
 Computer-Chemie-Centrum   
 Universitaet Erlangen/ Nuernberg
 Naegelsbachstr 25
 D-91052 Erlangen
 Telephone:  	+49(0) − 9131 − 85 26581
 Mailto: florian.haberl AT chemie.uni-erlangen.de
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