Re: [ccp4bb] PISA and ligands with non-natural amino acids

2013-06-11 Thread Eugene Krissinel
Dear Herman, I am looking at protein complexes with ligands containing non-natural amino acids. When I run PISA, I get the total area of the ligand, as well as the area of the ligand-protein interface, but hydrogen bonds and salt links are not recognized. I therefore do not think the calculated

[ccp4bb] PISA and ligands with non-natural amino acids

2013-06-11 Thread Herman . Schreuder
Dear Bulletin board, I am looking at protein complexes with ligands containing non-natural amino acids. When I run PISA, I get the total area of the ligand, as well as the area of the ligand-protein interface, but hydrogen bonds and salt links are not recognized. I therefore do not think the ca