[COOT] fink coot : unstable branch

2009-11-02 Thread Bryan W. Lepore
http://sage.ucsc.edu/~wgscott/xtal/wiki/index.php/Installing_Coot_on_OS_X 

"Be sure to use the so-called "unstable" branch of fink to get the 
latest pre-releases of coot"


do i read this correctly : it means ONLY pre-releases, right?  and then :


"`fink -y install coot` [...] whenever you require the latest version. "


means precisely that - the latest version, NOT a pre-release, so that the 
unstable branch does not need activation.


-bryan


[COOT] Coot crashes during DNA refinement

2009-11-02 Thread Jillian Orans
All,

I am running coot-0.6-pre-1-revision-2481 on Mac OS 10.6.1.  Whenever I try to 
regularize or refine more than 1 DNA base at a time, the program crashes.  This 
does not 
happen at all with protein and does not happen with a single base, just when I 
try it with 
more than 1 base at a time.  I've tested this with files from various 
refinement programs, 
and I know these files work just fine in coot on another older mac in the lab.  
It crashes 
with this message:

click on 2 atoms (in the same molecule)
(3)  P  /1/chainid="A"/-3/Gd, A occ: 1 with B-factor: 114.63 element:  P at (-
1.43,17.115,42.479) : 0.125923
(3)  P  /1/chainid="A"/-2/Td, A occ: 1 with B-factor: 127.8 element:  P at (-
1.164,11.699,46.9) : 0.112732
regularize: molecule 3 atom index 3012 to 3034
DEBUG:: check_dictionary_for_residues returns OK!
INFO:: 4 residues selected for refined and flanking residues
created 45 bond   restraints 
created 65 angle  restraints 
created 2 plane  restraints 
created 6 chiral vol restraints 
created 118 restraints

INFO:: GetSelIndex (make_link_restraints) returned 2 residues (for link 
restraints) 
between (and including) residues -3 and -2 of chain A
/usr/local/xtal/coot/bin/coot: line 7: 74779 Bus error   
/usr/local/xtal/coot/bin/coot-real "$@"

Any ideas?  I suspect it is a problem with the OS but not sure how to fix it.

Thanks,
Jill


Re: [COOT] NCS ghosts leaking memory?

2009-11-02 Thread Paul Emsley

Johan Hattne wrote:

Dear all;

My coot, 0.6-pre-1-revision-2312 running on Gentoo, seems to be leaking
memory when switching the NCS master.  Anybody else notice leaks here or
while doing superpositions (which I guess is the underlying cause)?
  


OK, thanks for the info.   Yes, there could well be leak there - NCS 
ghosts code is complex and has many pointers.


I'll make a note to investigate (after 0.6 is released).

Paul.


Re: [COOT] Disulfides across a crystallographic symmetry

2009-11-02 Thread Paul Emsley

Mark Nance wrote:

Hi Cooters,

I have a pair of disulfide bonds which link two monomers in separate  asymmetric units.  There is a single monomer in the asymmetric unit, and two monomers come together to form disulfides between Cys 26-Cys45, and Cys45-Cys26. 



For the record, you can't refine symmetry-related disulfides in Coot (yet).

Paul.


[COOT] NCS ghosts leaking memory?

2009-11-02 Thread Johan Hattne
Dear all;

My coot, 0.6-pre-1-revision-2312 running on Gentoo, seems to be leaking
memory when switching the NCS master.  Anybody else notice leaks here or
while doing superpositions (which I guess is the underlying cause)?

// Cheers; Johan