CCL: Conformational analysis
- From: Arne Dieckmann <adieckma_+_googlemail.com>
- Subject: CCL: Conformational analysis
- Date: Fri, 8 Apr 2011 13:37:39 +0200
Sent to CCL by: Arne Dieckmann [adieckma]|[googlemail.com]
Dear all,
I would like to perform a conformational analysis for a number of small molecule
complexes (bound by hydrogen bonding). However, standard tools do not seem to
take hydrogen bonding into account properly and I am not able to generate any
conformers at all. Can you recommend a good tool for that?
Cheers,
Arne
-----------------------
Dr. Arne Dieckmann
Bioorganic Chemistry
(Room: NC 2/125)
Ruhr-University Bochum
UniversitÃtsstraÃe 150
44780 Bochum, Germany
phone: +49 234 3224216
email: adieckma(-)googlemail.com
http://www.ruhr-uni-bochum.de/oc1/mitarbeiter/Arne-Dieckmann.html