Re: [ccp4bb] sugar ligand refinement in coot

2008-11-05 Thread lei feng
Hello Carlos thanks for your kindly reply. I think the cif file ( GLC_mon_lib.cif ) is only for one glucose molecule, it can not regulate the bond between two glucose units, that is why they break apart in the real space refinement. in the pdb file , different glucoses are different molecu

[ccp4bb] Latest Compilation of Marketed Drugs

2008-11-05 Thread Sridhar Prasad
Hello, I am looking for the latest and complete list of marketed drugs that were developed using Structure Based approach. Could someone please help me in finding this information or provide me the references. Thanks Sridhar

[ccp4bb] User proposal submission for Collaborative Crystallography at BCSB

2008-11-05 Thread Banumathi Sankaran
Dear Users, Through the Collaborative Crystallography Pilot Program (CC) at the Advanced Light Source, scientists can send protein crystals to Berkeley Center for Structural biology (BCSB) staff researchers for data collection and analysis. The CC Pilot Program can provide an number of benef

[ccp4bb] sugar ligand refinement in coot

2008-11-05 Thread lei feng
hello everyone can anyone help me with sugar ( say maltoheptaose) refinement in coot? I use the pdb file with " GLC " name , it always breaks apart into discountinuous glucose when I try to use real space refinement , I believe that is because there is no restraint with regarding to bond , w

[ccp4bb] User proposal submission for Collaborative Crystallography at BCSB

2008-11-05 Thread Banumathi Sankaran
Dear Users, Through the Collaborative Crystallography Pilot Program (CC) at the Advanced Light Source, scientists can send protein crystals to Berkeley Center for Structural biology (BCSB) staff researchers for data collection and analysis. The CC Pilot Program can provide a number of benefit

[ccp4bb] Phylogenetic analysis??

2008-11-05 Thread Raji Edayathumangalam
Hi Everyone, Could someone please tell me how to display the evolutionary/ phylogenetic tree of the homologs of my protein of interest. When I perform a PSI-BLAST search for my protein, I receive about 130 top hits for homologs. The NCBI or EBI tools that I've laid my hands on seem to only

[ccp4bb] summary of cartoon problem and a question

2008-11-05 Thread pramod madoori
Dear all, Thank you for the suggestions regarding cartoon problem that I posted on bulletin board. The problem was due to the separate segID put out after the phenix refinement. According to the PDB format, if I am not wrong, column number 73 should be blank which is followed by element name. But

[ccp4bb] Summary - crystals grown from high ammonium sulphate

2008-11-05 Thread Sabine Schneider
Thanks a lot for all the helpful replies I got! Here is a summary: - increase drop size to 4+4ul if protein is not the limiting factor -> limits skin formation - add 10-20ul well solution directly to drop - freeze straight from the drop - microseeding into less conc. AmSO4 to get more crystals

[ccp4bb] summary: tricoordinate ion?

2008-11-05 Thread Sebastiano Pasqualato
Dear all, thanks a lot for the many replies suggesting me what to put in my "misterious" density. Molecules that have been suggested are: acetate, Mg ion with waters, bicarbonate or nitrate, sulphate, borate, glycerol, tris, alternative conformation of the Arg side chain, waters. I have to say tha