[ccp4bb] another quick question...

2007-05-24 Thread James Pauff
Good day all, In COOT, when I view my coordinate pdb file with my ccp4 map file (using Auto-open mtz), I have a couple residues for which only a part of the peptide chain is visible. E.g. for a Lys, only the terminal nitrogens at the end of the R-group chain are visible as bonds. The other

Re: [ccp4bb] another quick question...

2007-05-24 Thread Roger Rowlett
James, The stars are atoms in a residue that are no longer within recognizable bonding distances of other atoms. Somewhere along the way these residues were mangled to the point that some atoms are no longer within bonding distance of each other. (In Refmac, for example, this can happen if the

[ccp4bb] new version of MR pipeline BALBES

2007-05-24 Thread Garib Murshudov
Dear all, A new version of an automatic molecular pipeline system - BALBES is now available. It can be downloaded from: www.ysbl.york.ac.uk/~fei/balbes The new options in this system are: 1) Use of user defined external PDB library 2) Use of a single PDB file as an input model for Molecular

[ccp4bb] Maps look different from auto-mtz vs EDS vs FFT in Coot or CCP4MG.

2007-05-24 Thread Kendall Nettles
I¹d like help in interpreting some mystery density in a structure. I¹m writing a paper about soaking the apo-estrogen receptor with different ligands. The apo structure is already released, as pdb code 2B23. The question is whether there is a mystery molecule in the pocket of the apo receptor. If

Re: [ccp4bb] Maps look different from auto-mtz vs EDS vs FFT in Coot or CCP4MG.

2007-05-24 Thread Joao Dias
Dear Kendall, I would suggest you to run a simulated annealing omit map around the region you are interested. The model bias will be reduced and you will get a more clear answer. Ciao, Joao Joao M. Dias Ollmann Saphire Lab The Scripps Research Institute 10550 North Torrey Pines Rd. IMM-2 La