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Dear Amber users,
I'm looking for new parameters for this chemical function:
R1-O-C(COOH)=C(H)-R2 which in the format code is:
R1-OS-CA(CO2OHHO)=CA(HA)-R2.
If R1 is an hydrogen atom, this function is include in the ascorbic molecule
(vitamine C). In my case, R1 and R2 are a carbon atom (sp3).
I wish to have those bond, angle and torsion parameters:
CA - OS
OS - CA - CA
CA - OS - CT
O2 - C - CA
O2 - C - CA
C - CA - OS
CT-OS-CA-CA
C-CA-OS-CT
Thanks
Pascal
(only one of them can be very useful!)
Dr Pascal Bonnet
School of Pharmacy and Pharmaceutical Sciences,
University of Manchester, Manchester, M13 9PL, U.K.
Tel:(+44) (0)161 275 2431
http://pharmacy.man.ac.uk
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Received on Fri Oct 26 2001 - 01:06:26 PDT
