Re: [COOT] Atoms

2008-10-02 Thread Kay Diederichs
Phil Evans schrieb: In the new coot, lots of my PDB files have all atoms coloured white. Is this a consequence of the new PDB format conventions Phil Yes I think so - I found that PDB files that behave like that lack the atom type in the last column (which might be req'd by the new PDB

[COOT] Edit chi angles does not work for monomers

2008-10-02 Thread Les Tari
Hi, I recently upgraded to the new version of COOT. I am now unable to refine ligands I generate with the monomer library sketcher. The mon_lib.cif file I generate for the ligand seems to be correctly read in, but when I try to modify the chi angles for the ligand or refine it the program

Re: [COOT] Atoms

2008-10-02 Thread Lynn F. Ten Eyck
On 2 Oct 2008, at 09:11, Kay Diederichs wrote: Phil Evans schrieb: In the new coot, lots of my PDB files have all atoms coloured white. Is this a consequence of the new PDB format conventions Phil Yes I think so - I found that PDB files that behave like that lack the atom type in the

[COOT] mac 10.4 coot 5 error?

2008-10-02 Thread Mark Collins
Hi I want to know if the following error will affect the running of coot? It seems to start up fine except for this error. Thanks Mark I get the following error in my start up log: PDB file /usr/local/xtal/coot/share/coot/standard-residues.pdb has been read. Spacegroup: P 1 Cell:

Re: [COOT] mac 10.4 coot 5 error?

2008-10-02 Thread William G. Scott
If you have a .gtkrc-2.0 file specifying a font, comment that line out. On Oct 2, 2008, at 12:09 PM, Mark Collins wrote: Hi I want to know if the following error will affect the running of coot? It seems to start up fine except for this error. Thanks Mark I get the following error in

Re: [COOT] Atoms

2008-10-02 Thread Charlie Bond
How straightforward would it be to modify coot to automatically 'run pdbset' on loaded pdb files to overcome this issue? Cheers, Charlie Lynn F. Ten Eyck wrote: On 2 Oct 2008, at 09:11, Kay Diederichs wrote: Phil Evans schrieb: In the new coot, lots of my PDB files have all atoms coloured

Re: [COOT] Atoms

2008-10-02 Thread William G. Scott
All un-fsck options should be non-default optional, lest they create other problems. On Oct 2, 2008, at 6:27 PM, Charlie Bond wrote: How straightforward would it be to modify coot to automatically 'run pdbset' on loaded pdb files to overcome this issue? Cheers, Charlie Lynn F. Ten Eyck