VMD-L Mailing List

From: Dr. Daniel James White PhD (dan_at_chalkie.org.uk)
Date: Thu Apr 15 2004 - 09:00:24 CDT

Hi again John,

So the tcl script below didnt work, no redsidue named CA, but then....
I realised I was being dumb... CA is obviously the Calcium ions.

Anyway, I removed them all from the pdb file and now the script works.

however, I still have the same old problem that the chain identifiers
of all 60 molecules are the same.
I need them to be different so that I can open the file properly in
Bodil for modelling.

Is there a way to give each chain/molecule a unique PDB chain ID in the
PDB output file.

(by the way, the His residies has hydrogens added to them incorrectly
and were excluded from the main chain.
Is this normal?)

cheers

Dan

>
> <mergemultiframepdb.tcl>

Dr. Daniel James White BSc. (Hons.) PhD
Cell Biology
Department of biological and environmental science
PO Box 35
University of Jyväskylä
Jyväskylä FIN 40014
Finland
+358 14 260 4183 (work)
+358 468102840 (new mobile)
NEW PHONE NUMBER!!!

http://www.chalkie.org.uk
dan_at_chalkie.org.uk
white_at_cc.jyu.fi