conformation analysis in Cerius2
- From: Andras.Borosy|at|givaudan.com
- Subject: conformation analysis in Cerius2
- Date: Thu, 25 Sep 2003 09:20:26 +0200
Dear Colleagues,
I want to measure distances between two
atoms of each conformers of a molecule. Conformers have been generated by
Cerius2. Radii of gyrasion, energies, tags are loaded into the conformation
table but structures not. Thus one can not insert and calculate distances (like
in MOE and Sybyl) in this table.. What can I do? How can I extract the generated
conformer structures into a table or and an SD file?
Many thank,
András Borosy