[COOT] Problem with NCS on coot-0.5-final for intel 10.5

2008-10-05 Thread Sheena McGowan
Hi I have just downloaded the recent version of coot (following instructions on Bill Scott's wiki page). However everytime I try and do anything with NCS - the program shuts down? I am building a large hexamer and really want to use the 'apply ncs master edits' feature however the progr

Re: [COOT] Flying hydrogen issue in coot 0.5

2008-10-05 Thread Jonathan Winger
I forgot to add I'm using the fink-installed version of Coot on OSX 10.5.5, intel Mac. Jon On Oct 5, 2008, at 7:14 PM, Jonathan Winger wrote: I'm building a structure in Coot 0.5. Upon real-space refine or regularize, some of the hydrogens on some residues fly off. It doesn't seem to be

Re: [COOT] Edit chi angles/refinement does not work for monomers

2008-10-05 Thread Les Tari
I realize that I left out a key detail, and had a typo on my last post. I am running Coot 0.5 on OSX (intel). The error message I see when I try to refine a monomer I generate with the CCP4 monomer library sketcher that there are NO restraints found for the ligand (despite the fact that I rea

Re: [COOT] CNS coordinate in COOT

2008-10-05 Thread William G. Scott
run the pdb file through ccp4's pdbset, which will canonicalize it (if that is a word). On Oct 5, 2008, at 5:59 PM, Masaki UNNO wrote: Hi Colleagues I am using CNS for structural refinements. I have installed COOT_0.5 but I think the new version of COOT cannot display CNS coordinate

[COOT] Flying hydrogen issue in coot 0.5

2008-10-05 Thread Jonathan Winger
I'm building a structure in Coot 0.5. Upon real-space refine or regularize, some of the hydrogens on some residues fly off. It doesn't seem to be the old pdb v3 atom-name issue, since other residues in the structure with exactly the same atom names real-space refine without any trouble.

[COOT] CNS coordinate in COOT

2008-10-05 Thread Masaki UNNO
Hi Colleagues I am using CNS for structural refinements. I have installed COOT_0.5 but I think the new version of COOT cannot display CNS coordinate properly. It did not display the color by atom and secondly structures. How can I display the CNS coordinate by atom or so? The CNS version is

Re: [COOT] C-alpha disappear

2008-10-05 Thread Feng Yu
Coot 0.5 doesn't support old pdb format and cannot add element column. m2.pdb is old format, so you must convert it. for example pdbset XYZIN m2.pdb XYZOUT m2-pdbset.pdb < m2-pdbset.pdb Description: Protein Databank data