VMD-L Mailing List

From: Dong Luo (us917_at_yahoo.com)
Date: Tue Nov 29 2011 - 10:12:44 CST

It's not possible to achieve what you need in VMD based on http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/8944.html

However, as suggested in that link, PDBCat may provide you the function by directly dealing with the original pdb file if it's already in pdb format.

Dong

________________________________
 From: Ricardo Soares <rsoares_at_fcfrp.usp.br>
To: vmd-l_at_ks.uiuc.edu
Sent: Tuesday, November 29, 2011 6:47 AM
Subject: vmd-l: Save pdb with original numbering
 
Dear VMD users,

I'd like to save an specific selection as coordinates in a PDB file, so I can
make an GROMACS index file out of it. For this, I need that VMD maintains the
original atom numbering, so I can identify the selected atoms. "Writepdb"
always reissues a new numbering, starting from 1, which scrambles everything.

Any ideas or known scripts?

Thanks in advance,