[ccp4bb] alt conformations and solvent structure

Hi folks: Is there a simple way to attach partially occupied solvent sites with a specific conformer when dealing with multiple conformations of side chains or nucleotides, for purposes of PDB deposition? (In this case the resolution is quite high.) Thanks. Bill William G. Scott

Re: [ccp4bb] alt conformations and solvent structure

Hello Bill, does the 'Alternate location indicator' in the PDB file not fulfill this purpose? If you have conformations A, B, and C for the nucleotide and the solvent molecule associates with conformation B, it should also be in conformation B. I believe at least this is how refmac5 interpretes