Re: [ccp4bb] Data mining interactions in the PDB

2013-10-29 Thread Barry Finzel
If you are interested in finding other interactions that look like one particular one, rather than just classifying things (e.g., is this cyan, sea-foam, turquoise or teal?), then I'd recommend the substructure searching capabilities of the DrugSite server You can specify any arbitrary

[ccp4bb] Data mining interactions in the PDB

2013-10-28 Thread Katherine Sippel
Hi all, I was wondering if anyone knew of a software or server to mine the PDB for a specific class of interactions? I've tried PDBeMotif without much luck and I thought I'd check to see if there was an alternative before I go re-inventing the wheel. Cheers, Katherine -- Nil illegitimo

Re: [ccp4bb] Data mining interactions in the PDB

2013-10-28 Thread Ho,Shing
...@gmail.com Date: Monday, October 28, 2013 12:23 PM To: CCP4BB@JISCMAIL.AC.UKmailto:CCP4BB@JISCMAIL.AC.UK CCP4BB@JISCMAIL.AC.UKmailto:CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Data mining interactions in the PDB Hi all, I was wondering if anyone knew of a software or server to mine the PDB

Re: [ccp4bb] Data mining interactions in the PDB

2013-10-28 Thread Tom Oldfield
...@gmail.com Date: Monday, October 28, 2013 12:23 PM To: CCP4BB@JISCMAIL.AC.UK mailto:CCP4BB@JISCMAIL.AC.UK CCP4BB@JISCMAIL.AC.UK mailto:CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Data mining interactions in the PDB Hi all, I was wondering if anyone knew of a software or server to mine the PDB

Re: [ccp4bb] Data mining interactions in the PDB

2013-10-28 Thread Francois Berenger
On 10/29/2013 03:23 AM, Katherine Sippel wrote: Hi all, I was wondering if anyone knew of a software or server to mine the PDB for a specific class of interactions? I've tried PDBeMotif without much luck and I thought I'd check to see if there was an alternative before I go re-inventing the

Re: [ccp4bb] Data mining interactions in the PDB

2013-10-28 Thread Prof. K. Sekar
How about this server http://iris.physics.iisc.ernet.in/psap/ On 10/29/2013 03:23 AM, Katherine Sippel wrote: Hi all, I was wondering if anyone knew of a software or server to mine the PDB for a specific class of interactions? I've tried PDBeMotif without much luck and I thought I'd