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 this.
Regards, Tim On 04/14/2014 08:08 PM, William Scott wrote: > 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 > > Contact info: http://chemistry.ucsc.edu/~wgscott/ > -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A
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