[ccp4bb]

Recent versions of coot read CNS maps directly - no need to convert it first. (Not quite sure when we added this, but it's in 0.4.1 and 0.5pre). Just use 'File/Open map' Kevin Raja Dey wrote: Hi, Is it possible to display cns map in coot? If yes, how? Might be there is a way to convert

[ccp4bb] How to obtain an oca file?

Thwe MSD target service has gone, and that was the way I created oca files comparing sequences? Is there another web site which will give back the same format? Eleanor

[ccp4bb] protein-protein docking programs

Hi, All: Recently we solved a complex structure between two proteins, which indicated the interaction was kind of rigid. Therefore we want to test the binding mode of the receptor with another homologous ligand(very similar structure, RMSD 2.4 angstrom). Can somebody recommend

[ccp4bb] model bias: phaser + prime-and-switch VS simulated annealing in phenix VS simulated annealing in cns + prime and switch

First off sorry for the cross post across bbs I have a molecular replacement solution for a single site mutant for data that goes out to 2.8 A. After molecular replacement in phaser I run the following and examine the maps for bias from the model. Option1: simluated annealing refinement in

[ccp4bb] sa_omit_map

Hi, I am trying to omit some residues from 4 chains to calculate sa_omit_map.map. How I should declare the command in the inp file? See the error below. %CNSsolve-ERR: unrecognized command: ident ( store8 ) ( byresidue ( ( segid K and resid 2, 15 or segid L and resid 1, 2, 14 or segid C

Re: [ccp4bb] sa_omit_map

To me, it seems that your syntax for chain and residue definitions is incorrect. See the 'Tutorial' section on the CNS website, which gives some very nice examples. For example, if you want to select chain K and residues 2 and 15, chain L and residues 1, 2, and 14, and so on, here's pne

Re: [ccp4bb] protein-protein docking programs

Hi Jerry, I've not got a whole lot of experience with docking programs but I have used 3D-dock (http://www.sbg.bio.ic.ac.uk/docking/) to do docking trials between two proteins and found it to be easy to set up and use. It uses an algorithm that mainly looks at surface complimentarity between

Re: [ccp4bb] cns map in coot

attempting to read CNS map: /Users/rajadey/yong/cns/coot/excl_comp.map CNSMAPfile: can't get number of header lines WARNING:: failed to read /Users/rajadey/yong/cns/coot/excl_comp.map DEBUG:: Erasing the back molecule 1 which says that it has molecule number 1 Read map

[ccp4bb] problem with coot/cns

Hi All, I am using COOT 0.5-pre and getting the following error when opening a cns map. I can open that map in O. CCP4 map filename: /Users/rajadey/yong/cns/coot/sa_omit_map.map INFO:: map file type was determined to be CNS type allocating space in read_ccp4_map attempting to read CNS map: