On 9/3/13 8:57 AM, ABEL Stephane 175950 wrote:
Hello all,
A Quick question below:
My peptide contains one trp, and i want to select only the atoms that form the
the indol ring. I would like a portable script for others systems that contain
also a peptide with one Trp residue. So I am not interesting to select the
corresponding atoms by their numbers in the pdb/gro files
The atom name in the indol group are aCG | aCD1 | aHD1 | aCD2 | aCE3 | aHE3 |
aCZ3 | aHZ3 | aCH2 | aHH2 | aCZ2 | aHZ2 | aCE2 | aNE1 | aHE1
Can you help me ?
What is the problem? Aside from a lack of a space between the 'a' and the
actual atom name, that should work just fine.
-Justin
--
==================================================
Justin A. Lemkul, Ph.D.
Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalem...@outerbanks.umaryland.edu | (410) 706-7441
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