Dear all, I apologize for the off-topic question.
I'm looking for some software that is able to read in (small molecule) structure files (e.g. .pdb, .cif,..) and subsequently outputs a listing of bond lengths AND 'environment' distances for each atom within a certain radius.
Additionally, the listing should allow to construct a distribution diagram for each atom-atom distance.
I already played a bit with Vista en Mercury (CCDC), but to my knowledge it's not possible to include such 'environment' distances...
Thanks a lot Kristof -------------------------------------- Kristof Van Hecke, PhD Biomoleculaire Architectuur Celestijnenlaan 200 F B-3001 Heverlee (Leuven) Tel: +32(0)16327477 -------------------------------------- Disclaimer: http://www.kuleuven.be/cwis/email_disclaimer.htm
