[ccp4bb] Quantifying electron density inside of a given volume

2022-08-10 Thread Neno Vuksanovic
Dear All, I would like to quantify electron density inside of positive Fo-Fc blobs in active sites of multiple protomers in the map and compare them. I am aware that I can interpolate maps and obtain density values at coordinate points using either MapMan, Chimera or Coot, but I would like to

[ccp4bb] PDB file secondary structure annotations

2021-09-16 Thread Neno Vuksanovic
Dear All, I noticed that files available in the Protein Data Bank contain secondary structure information which allows for them to be imported in a program such as BioRender in order to make structural figures. However, the PDB files generated by PHENIX for structures that I haven't deposited yet

Re: [ccp4bb] Coot/Phenix.refine C-terminus issue

2021-02-18 Thread Neno Vuksanovic
Dear All, Thank you so much for the suggestions. There was indeed a TER in my PDB file and removing it solved the problem. I was using Coot 0.8.9.2. Best Regards, Nen On Thu, Feb 18, 2021 at 11:07 AM Paul Emsley wrote: > On 18/02/2021 15:21, Neno Vuksanovic wrote: > > > > I

[ccp4bb] Coot/Phenix.refine C-terminus issue

2021-02-18 Thread Neno Vuksanovic
Dear All, I've been having an issue when manually adding C-terminal residue in Coot (I add a terminal residue, then add OXT atom, and perform real space refinement). The residue links the previous one properly and the density matches it well, but after refining in Phenix.refine, the residue is