Re: [ccp4bb] software to calculate VDW interactions between small molecule and protein

[Eleanor Dodson]

mathias wrote:
Dear all,
Can anyone of you guys recommend free software, or any open access 
internet server, to calculate VDW interactions of small molecules 
binding to protein. The only information I need is an output file 
which lists all amino acids of the target protein which make VDW 
interactions with the binding small molecule.
Thank you very much for your help and recommendations,

Mathias


Have you tried the MSD Pisa server at the EBI ? It lists all sorts of 
information?

Eleanor