Dear all I have noticed a (related?) CRYST1 problem/bug/feature. superposing 2 molecules in 2 different cells, and saving the moved molecule, changed the CRYST1 record of the saved file to the one from the reference molecule.
original pdb CRYST1 60.400 72.150 133.010 90.00 90.00 90.00 P 21 21 21 SCALE1 0.016556 0.000000 0.000000 0.00000 SCALE2 0.000000 0.013860 0.000000 0.00000 SCALE3 0.000000 0.000000 0.007518 0.00000 after coot SSM and save_as CRYST1 69.675 39.000 36.255 90.00 111.69 90.00 C 1 2 1 SCALE1 0.014352 0.000000 0.005709 0.00000 SCALE2 0.000000 0.025641 0.000000 0.00000 SCALE3 0.000000 0.000000 0.029684 0.00000 this generates very funny results in PyMol. Changing the CRYST record after saving to the original cell seems to fix this, but surely the CRYST record should stay the same upon loading and saving a pdb-file? I wonder if this is to do with me? I am running coot on a MBP, snow leopard, and just upgraded to the latest version of everything using the latest builds from Bill Scott. Let me know if I have left out some crucial information. sorry if this should have come up before but I could not find it in the archives. best david On 16 Dec 2010, at 23:07, Bosch, Juergen wrote: > Dear BB, > I finked my MacPro (Snow Leopard)ti the latest and greatest version of Coot > 0.6.2-pre-1 (revision 3290) [with guile 1.8.7 embedded] [with python 2.7.1 > embedded] > and found out that I can not display any symmetry related molecules anymore. > Coot complains about a problem in the CRYST card. > > Is this a feature or a know bug ? > > Any help Paul ? > > Thanks, > > Jürgen > > - > Jürgen Bosch > Johns Hopkins Bloomberg School of Public Health > Department of Biochemistry & Molecular Biology > Johns Hopkins Malaria Research Institute > 615 North Wolfe Street, W8708 > Baltimore, MD 21205 > Phone: +1-410-614-4742 > Lab: +1-410-614-4894 > Fax: +1-410-955-3655 > http://web.mac.com/bosch_lab/ > ___________________________________ David Komander MRC Laboratory of Molecular Biology Hills Road, Cambridge CB2 0QH, UK http://www2.mrc-lmb.cam.ac.uk/groups/dk/ http://www2.mrc-lmb.cam.ac.uk/group-leaders/h-to-m/d-komander
