Dear Sam
The HIC-Up website link is
http://xray.bmc.uu.se/hicup/
Hope it will help you
Vijay Kumar, SRF
Protein science and Engg. Division
IMTECH, Sector -39A, Chandigarh
INDIA
U Sam <[EMAIL PROTECTED]> wrote Hi,
Thanks for the reply to my earlier query.
Hi Sam:
You can define a SMILES string, put that in coot, and it will create
coordinates.
Similarly, within phenix, you can do this with elbow.builder and then optimize
is either with built-in forcefields or with an external QM program. It will
give you a reasonable (usually) cif file that you
Hi,
Thanks for the reply to my earlier query.
I am looking for the coordinates of few organophosphates which can bond
covalently to protein as follows .
1) Para-oxon: O,O-Diethyl-O-para-nitrophenyl phosphate
2) Sarin: 2-(fluoro-methyl-phosphoryl)oxypropane
3) Soman: 3-(fluoro-methyl-phosphoryl)o
