Hello everyone, While this is not exactly a crystallography question, I do think that most of you are well versed in structural analysis. The problem: I have a very large number of ligands (>100.000) resulting from blind docking against a certain receptor. Due to the large number, this can not be done visually. Is there a way to cluster these ligands based on their positions, so that we can observe potential binding sites?
Any insight would be greatly appreciated! Cheers! S ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
