[ccp4bb] buried surface area

2011-10-19 Thread Jyotica Batra
Dear users, Are there any programs to calculate percentage of buried surface area that is polar vs nonpolar? Thanks in advance Thanks! Jyotica

[ccp4bb] "CCP4i has no longer control of the current database error"

2010-10-12 Thread Jyotica Batra
Dear All I'm trying to run program (any) on CCP4i and there is an error message: "This instance of CCP4i no longer has control of the current database. This is probably because another CCP4i is running and has taken control of the database over from this one. It is unsafe under these circumstan

[ccp4bb] Refinement

2010-10-18 Thread Jyotica Batra
Hi All I have a dataset at 1.9A, spacegroup-P212121 (unit cell: 37.7, 39.52, 231.72, 90, 90, 90), I used MR phaser and got a structure solution with LLG= 320 (1copy/a.u) . During refinement, the R-free (50%) and R-factors (42%) never go down. I have tried refining in phenix and refmac both, bu

[ccp4bb] Rfrees

2010-11-29 Thread Jyotica Batra
Dear All Currently I'm refining my model in refmac5, so is there a way I can switch to phenix.refine by retaining the same R-frees, I have from refmac? Any suggestions at this time would be helpful! Thanks in advance! Thanks! Jyotica