Re: [ccp4bb] Coot crashes on starting baton mode.

2016-12-27 Thread Ray Changrui Lu
Dave: This may or may not help. I have not seen this particular error before, but I I have discovered that sometimes coot can crash in newer versions of OSX. I actually keep two "flavors" of coot in my system: one from the CCP4 suite and the other from the Scott lab website. Somehow those two vers

[ccp4bb] 3D Viewing on Budget

2016-12-25 Thread Ray Changrui Lu
Dear CCP4 Community: Happy Holidays! Sorry for bringing up this old topic again. However after some recent struggle with rather poor crystals and my deteriorating eye sights, I have decided I need a couple 3D capable (cheap) workstations in lab. After reviewing previous posts and the two web-pag

[ccp4bb] Rational design of ligands

2009-02-19 Thread Ray Changrui Lu
Hello all, Does anybody happen to know any programs capable of designing small inhibitors from a known protein-ligand crystal structure? Many thanks. best, Ray Changrui Lu Cornell University

[ccp4bb] Se-SAM topology and parameter for CNS

2008-08-13 Thread Ray Changrui Lu
Hello all, Sorry for the off-topic inquiry. I am refining a structure with Seleno-substituted SAM as ligand in CNS but I cannot find or generate top and param files for it on Dundee and HIC-UP severs. Does anybody have such files or know how to manually modify SAM top and param files for Se-SAM? A

[ccp4bb] Dual Head Stereo On FireGL

2008-01-21 Thread Ray Changrui Lu
Hello all, I have 2 21inch CRTs connected to a stereo capable firegl card and I am hoping to enable the active stereo on the extended desktop. Stereo works on a single screen setup but does not on the extended desktop on 2 monitors. I have a similar setup on an nvidia quadro card using xinerama th

[ccp4bb] Dissolving s-adenosylhomocysteine

2007-11-06 Thread Ray Changrui Lu
Hi all, I am in the process of obtaining crystals in complex with s-adenosylhomocysteine but this compound doesn't dissolve in normal pH. The final concentration needs to be in mM range so the stock ideally needs to be at least 50mM. I know SAH is quite soluble in DMSO but is there anyway to get i

[ccp4bb] Crystal Screens

2007-10-30 Thread Ray Changrui Lu
Hello all, I am forwarding this email as requested by a lab member due to technical difficulties in school mail accounts. Ray >Hello, > >I usually try out Hampton crystal screen I & II, and PEG/ion screens >on my proteins, sometimes varying protein concentrations and >incubation temperature.