Dear Stefan, On Tue, 2014-02-04 14:44 EST, Stefan Ivanov <stefan.iva...@postgrad.manchester.ac.uk> wrote:
> Dear Pymolers, > > I tried to run ncont on a pdb structure and got a .ncont file as output, > but the only thing the file contains is an error message (see below). I > tried copying default.def into the working directory, but couldn't get > the darn thing to work. If someone can help I'd appreciate it. You might have better luck asking on the ccp4bb, but I'll try to answer... > ---------------------------------------------------------------------------------- > > >>>>>> CCP4 library signal ccp4_general:Cannot open default.def (Error) > raised in ccp4fyp <<<<<< > > ############################################################### > ############################################################### > ############################################################### > ### CCP4 6.4: NCONT version 6.4 : ## > ############################################################### > User: unknown Run date: 3/ 2/2014 Run time: 16:00:09 > > > Please reference: Collaborative Computational Project, Number 4. 1994. > "The CCP4 Suite: Programs for Protein Crystallography". Acta Cryst. D50, > 760-763. as well as any specific reference in the program write-up. > > > > ------------------------------------------------------------------------------ > > ***** ERROR #40 READ: > > Logical file name not found. You haven't told us how you tried to run it, but the error tells you that it is not finding your .pdb file. Did you run it on the command line? If so, did you type something like: ncont xyzin file.pdb The standard command line format for CCP4 programs is such that coordinate files are indicated by the "xyzin" (and "xyzout") logical names. It can also be run from the ccp4i interface. Did you try that? Cheers, Rob -- Robert L. Campbell, Ph.D. Senior Research Associate/Adjunct Assistant Professor Dept. of Biomedical & Molecular Sciences Botterell Hall Rm 644 Queen's University, Kingston, ON K7L 3N6 Canada Tel: 613-533-6821 <robert.campb...@queensu.ca> http://pldserver1.biochem.queensu.ca/~rlc ------------------------------------------------------------------------------ Managing the Performance of Cloud-Based Applications Take advantage of what the Cloud has to offer - Avoid Common Pitfalls. Read the Whitepaper. http://pubads.g.doubleclick.net/gampad/clk?id=121051231&iu=/4140/ostg.clktrk _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
