[Chimera-users] TER characters between residues in exported PDB ?

Elaine Meng meng at cgl.ucsf.edu
Thu Jun 7 12:12:10 PDT 2012


Hi Marek,
If you are going to use Amber, might as well just use Write Prmtop instead (in menu under Tools... Amber):
<http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/addions/writeprmtop.html>

This saves both a prmtop file and a inpcrd file.
Best,
Elaine
----------
Elaine C. Meng, Ph.D. 
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco


On Jun 7, 2012, at 11:19 AM, Marek Maly wrote:

> Hello all,
> 
> I would like to know if there is any way how to export from Chimera molecular structure in  PDB format
> but with TER string between all residues in the file.
> 
> This would be very helpful if one prepares in Chimera PDB inputs (containing also non protein or non DNA/RNA molecules)
> for Amber because Amber (Leap) automatically tries to create bonds between all consecutive residues unless they are separated
> by TER string.
> 
>  Thank you very much for any useful information.
> 
>    Best wishes,
> 
>       Marek





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