Re: [ccp4bb] MSD PISA

2009-11-24 Thread Matthew Chu
Hi Koustav, I had the same question before and here is the answer from Eugene Krissinel, the developer of PISA: "Yes PISA has a database of compounds, which contains certain interaction parameters. If a compound is not found in the database, then PISA does not know how it interacts with other mol

[ccp4bb] MSD PISA

2009-11-24 Thread Koustav Maity
Hi All, I am using MSD PISA web server to analyze the protein ligand interface in my newly solved structure. The ligand in the structure is a new inhibitor (generated using PRODRG), so there is no entry for the inhibitor in the PDB. Therefore when I am uploading my pdb file to PISA server it is not