[ccp4bb] protein structure for high schoolers

2012-01-20 Thread James Whittle
Hi- I am trying to help my former chemistry teacher set up a demonstration of protein structure for her class. I'd like to include electron density maps, and maybe show an enzyme active site. Are there suggestions from the BB on the easiest way to do this? Would pymol be the program of choice, or

[ccp4bb] LABELIT with XDS

2011-08-24 Thread James Whittle
Dear all, I'm able to index my images in LABELIT. Is it possible to use that indexing solution in XDS? James

[ccp4bb] conversion of cyroEM reconstruction from MRC to CCP4 format

2010-07-13 Thread James Whittle
Hi all- I'm trying to convert a cryoEM map from FREALIGN for use with various CCP4 programs, or with MAPMAN. Even though the MRC format is derived from the CCP4 map file format, every program I've tried fails to open it, (except for Chimera which displays the map but cannot save it to another

[ccp4bb] refmac, twinning, restraints

2009-04-28 Thread James Whittle
Dear all, Can any one comment on setting up restraints for refinement against merohedrally twinned data in Refmac? I find that refinement distorts the geometry (90% allowed in the Ram. plot becomes 60% after 10 cycles). Decreasing the weight term to 0.5 or 0.1 seems not to improve the

[ccp4bb] indexing choice for C2

2008-12-13 Thread James Whittle
Dear all, I believe I've run across a case similar to that described recently in Zwart et al., Acta Cryst. (2008) D64, 99-107: Given the pseudosymmetric nature of the lattice (pseudo- rhombohedral), C2 can be embedded in the higher symmetry lattice in three different ways (see Fig. 4),

[ccp4bb] installing Phaser EP

2008-10-26 Thread James Whittle
Hi all- I'm trying to get Phaser EP working through ccp4i on an intel Mac. I've tried re-installing both ccp4 and phaser from the automatic downloads section of the website, but Phaser EP still does not appear in the program list. Can anyone suggest how to fix this? --James

[ccp4bb] stereo in coot with RHEL 5

2008-08-08 Thread James Whittle
Hi- There seems to be a problem enabling stereo with coot on RHEL 5, which results in the error: CATASTROPHIC ERROR:: in gl_extras no GtkGL widget! WARNING:: switch to hardware_stereo_mode failed I've found mention of this through a google search, but no solution. Has anyone encountered this