Documentation for shelx2map
Description
shelx2map reads a .phs- or .fcf-file ( LIST 6 only!) and converts them to ccp4 map format. This map can then be read into pymol for image rendering.
Download
Please note that from its next release, shelx2map will be available with CCP4.
shelx2map is distributed under the GNU General Public License. Please contact me if this license is not suitable for your purposes.
- static 64-bit Linux binary shelx2map 64bit
- static 32-bit Linux binary shelx2map 32bit
- Source code
- shelx2map_osx_snow_leopard_intel64 compiled kindly provided by Kip Guja.
Shelx2map requires Kevin Cowtan'sClipper library and either CCP4 or Morten Kjeldgaard's gpp4 libraries to be installed.
If you compile shelx2map for other platforms or operating systems I would appreciate a copy for redistribution.
Documentation
Typing
shelx2mapwithout command line options show a short usage summary:
******************************************************************************* * shelx2map - convert shelx .fcf and .phs files to * * to ccp4-format for use in e.g. pymol. * * (c) Tim Gruene, 7/2012 * ******************************************************************************* Usage: shelx2map [OPTIONS] inputfile[.fcf] [fa_file] inputfile: fcf-file (LIST 6 only) with or without suffix fa_file: use Fa and phi = phicalc - alpha for creating an anomalous map -o filename: explicitly sets output filename unset: derived from input filename + '.map' -m N: integer weight for fcf-files: m=0: |Fo|-|Fc| map m>0: m|Fo| - (m-1)|Fc| map unset: create both difference map and 3|Fo| - 2|Fc| map -w w : downweight weak data with Fc^4/(Fc^4+w*sig(Fo)**4) without '-w', weighting with w=1.0 is applied. -r r : set rate for map sampling (default: 1.5) or: shelx2map [OPTIONS] inputfile[.phs] inputfile : phs-file with or without suffix -o mapname : explicitly sets output filename unset: derived from input filename + '.map' -s pdbfile : MANDATORY: source of spacegroup and cell from CRYST1 -f : Do NOT weight F with FOM -w w : downweight weak data with 1/(1+w*(sig(Fo)/F)**4) implies '-f', i.e. FOM is not applied -r r : set rate for map sampling (default: 1.5) -h /-?: print this help message
Tim Gruene
Last modified: Mar 25, 2020 22:42