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

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

work with coot. Thank you so much for your time. Changrui Lu Nucleic Acid and Structural Biology Group College of Chemistry, Chemical Engineering and Bioengineering Donghua University 2999 North Ren Min Road, Shanghai 201620, China Tel: 86-21-67792740 Fax: 86-21-67792740 E-mail: c...@dhu.edu.cn

[ccp4bb] Rational design of ligands

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

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

Re: [ccp4bb] Vista

Hi all, Vista has tons of compatibility issues, especially with opengl. As far as I know pymol, swisspdbviewer and a number of other opengl based programs do not work on vista. (Coot has some compatibility problem with Aeroglass, and pymol might have a stable release for vista soon.) More progr

[ccp4bb] Dual Head Stereo On FireGL

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

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

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.

[ccp4bb] His tag does not bind.

Dear all, I am trying to express a 150 kd protein in E coli. I have it in two constructs, one with pmal-his and other with only his tag at N terminus. The full length protein can be detected both by sds and western using anti-his (190kd and 150kd respectively) but strangely neither binds to his-co

[ccp4bb] SAM phasing

Hello all, Does anyone know where I can obtain heavy atom-derivatized S-adenosylmethionine? I am wondering if anyone has experienced or heard of successful instances where heavy atom-derivatized SAM has been used for phasing molecules that binds SAM? Thanks a lot! Ray