[ccp4bb] problem with refmac refinement

2007-03-13 Thread junfeng liu
Hi, All, I am trying to refine a model with ligand. The problem is: The electron density of ligands can be seen on the map prepared by resolve . After rebuilding the ligand into the model by coot and refienment using refmac, the electron density of the ligands was very poor on the map prepare

[ccp4bb] imgCIF workshop at BNL on 24 May 2007

2007-03-13 Thread Herbert J. Bernstein
Second imgCIF workshop (new series) at BNL after NSLS/CFN meeting: Synchrotron Image-Data Format Workshop Herbert J. Bernstein, [EMAIL PROTECTED] Robert M. Sweet, [EMAIL PROTECTED] Sponsored by DOE under grant ER64212-1027708-0011962, NSF under grant DBI-0610407. NIH support pending. There will

[ccp4bb] Dorothy Hodgkin reference

2007-03-13 Thread Sara Lejon
Hi all, I am looking for a reference (journal or book, can't remember), where Dorothy Hodgkin is quoted as saying something along the lines of "the structure of a protein in a crystal is one of many structures a protein can take up, and this structure is stabilised by lattice interactions". I

[ccp4bb] Software Developer Position at Berkeley Center for Structural Biology

2007-03-13 Thread Paul Adams
=== Lawrence Berkeley National Laboratory Software Developer II with the Berkeley Center for Structural Biology ==

[ccp4bb] RMSD

2007-03-13 Thread john kryst
Hi ccp4bb !!! Does the rmsd estimation (for eg. rmsd_bonds ) depends on the program we use ?? Example : shifting from Refmac to CNS. There appears to be an increase in rmsd of bonds even without refining the structure in CNS. Is the estimation methods are different or am i doing something wrong