AMBER Archive (2008)

Subject: Re: AMBER: pdb structure is only half the molecule.

From: Florian Haberl (Florian.Haberl_at_chemie.uni-erlangen.de)
Date: Fri Oct 24 2008 - 05:18:45 CDT

Hi,

On Friday, 24. October 2008, Ye Mei wrote:
> pymol can also do this job. If you can read the symmetry info in the head
> of pdb files, you can write a small piece of program.

you can use

symexp sym,name,(name),5.0

which creates crystal packing of the molecule(s) within a distance of 5 \AA.

Greetings,

Florian 

-- 
-------------------------------------------------------------------------------
 Dr. Florian Haberl                        
 Computer-Chemie-Centrum   
 Universitaet Erlangen/ Nuernberg
 Naegelsbachstr 25
 D-91052 Erlangen
 Telephone:  	+49(0) − 9131 − 85 26573
 Mailto: florian.haberl AT chemie.uni-erlangen.de
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