[ccp4bb] Dickerson book

2007-11-18 Thread Bernhard Rupp
Dear All, during my hunt for historic material I came across Richard Dickerson's 2005 Book 'Present at the Flood - How molecular structural biology came about' It is a personal account based on a smartly commented collection of key papers in early protein crystallography. Everything you wanted t

[ccp4bb] Generating .top and .param for metal-benzene coordination

2007-11-18 Thread Peng Xie
Hi, all I am refining a structure that has a metal-benzene coordination bond, usually the pdb was constructed in a way as seen in the crystal structure determined for the small molecule ligand. When I generated the .top and .param files, I usually could not define the bond between metal and the be