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The version 0.1 of Coot that we are running here (under SuSE Linux 9.3 or later) can read a SHELX .fcf file (must have been created by LIST 6) and generates sigma-A weighted electron density and difference electron density maps in suitable colours. It can also read a SHELX format .res file (bteer to give it one written by SHELXL rather than created by hand). This is indeed the recommended way of getting maps for small molecules. This works fine for me (I have just tested it again to make sure) but I suppose that if there is a problem finding sensible sigma-A values because of a shortage of data it might just possibly be unstable. More likely your system is missing one of the large number of libraries and other executables that Coot calls, e.g. the CCP4 routine to convert the .fcf file from 'core CIF' to MMCIF (why this should be required since core CIF should be a subset of MMCIF is an interesting question). Also you should ignore all the error messages produced because Coot mistakenly tries to read the .fcf file as .mtz format before trying .fcf format.
George [EMAIL PROTECTED] wrote:
*** For details on how to be removed from this list visit the *** *** CCP4 home page http://www.ccp4.ac.uk *** Hi people, could you please tell me whether any one had opened ".fcf" file in new verson of coot. If so, how it should be opened? when I am trying to open .fcf file, coot is closing. -selvaraj
-- Prof. George M. Sheldrick FRS Dept. Structural Chemistry, University of Goettingen, Tammannstr. 4, D37077 Goettingen, Germany Tel. +49-551-39-3021 or -3068 Fax. +49-551-39-2582
