Re: [COOT] Add OXT broken?

2011-09-16 Thread Edwin Pozharski
. I'm on an intel mac running 10.6.8, with Coot 0.7-pre-1 (revision 3628). Bug? Thanks, Jon -- Edwin Pozharski, PhD University of Maryland, Baltimore

[COOT] pdb file problem with duplicate amino acid

2017-01-31 Thread Edwin Pozharski
Whatever the rationale was, there is a structure in the PDB that has alternate conformer of a residue listed with different residue type - A is arginine and B is glutamine. Coot fails to load the model complaining in the command window WARNING:: Error reading small-molecule cif

Re: [COOT] pdb file problem with duplicate amino acid

2017-01-31 Thread Edwin Pozharski
s...@mrc-lmb.cam.ac.uk> wrote: > On 31/01/17 17:54, Edwin Pozharski wrote: > > Whatever the rationale was, there is a structure in the PDB that has > alternate conformer of a residue listed with different residue type - A is > arginine and B is glutamine. Coot fails to load the model co

Re: [COOT] Coot "open file" dialogue connection to CCP4

2016-11-10 Thread Edwin Pozharski
edu> wrote: > On Thursday, 10 November, 2016 14:01:01 Edwin Pozharski wrote: > > This is an ugly hack, but here goes > > [...] > > > Wouldn't it be cleaner to wrap coot in a script that either > - resets $HOME to a directory that doesn't hold the .CCP4 folder > - uses

Re: [COOT] Coot "open file" dialogue connection to CCP4

2016-11-10 Thread Edwin Pozharski
This is an ugly hack, but here goes: 1. Prior to opening coot, rename you .CCP4 folder. (bash: mv .CCP4 .CCP4_hidden) 2. Open coot. Do what you need to do. 3. Close coot. 4. Restore .CCP4 folder (bash: mv .CCP4_hidden .CCP4) You can make a shortcut by putting this into your .bashrc

[COOT] fresh coot misbehaves? (well, not really)

2016-11-10 Thread Edwin Pozharski
I had an opportunity to build coot executable on a fresh ubuntu box. It compiles fine after you install few dependencies but I noticed the following: 1) it seems that coot won't work without CCP4. It won't load mtz files - complained that the map file wasn't proper format. 2) Even after I

[COOT] sphere refine

2018-09-27 Thread Edwin Pozharski
Is there currently a way to auto-run the sphere refine on full sequence (similarly to stepped refine option, preferably with an option to enforce Ramachandran)? If not, are there plans to add such feature? Is there some fundamental objection to such feature? Thanks --- Coot verendus est

Re: [COOT] Building a helix into an unknown density

2019-01-29 Thread Edwin Pozharski
https://www2.mrc-lmb.cam.ac.uk/Personal/pemsley/coot/web/docs/coot.html#Place-Helix On Tue, Jan 29, 2019 at 3:09 PM Ahmad Khalifa wrote: > Hello, > > I'm a new user of Coot. I have a density that has the shape of a helix. I > sort of have an idea of what sequence should go in there, but I

Re: [COOT] Color chains or turn on environmental distances between molecules

2019-12-27 Thread Edwin Pozharski
I believe "bonds colour by chain" option in display manager does color chains differently. On Wed, Dec 25, 2019, 12:06 PM Ahmad Khalifa wrote: > I want to either color chains of the same structure differently, or turn > on environmental distances between molecules (which I can color >