Difference between revisions of "Xmakemol"

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import>Mp466
import>Mp466
 
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'''
 
'''
 
189
 
189
  +
<blank line>
 
 
LA 1.78570323034613 -10.9443958236924 2.45504189405983
 
LA 1.78570323034613 -10.9443958236924 2.45504189405983
 
LA 0.464015242641469 -11.3174520939861 1.75627872208277
 
LA 0.464015242641469 -11.3174520939861 1.75627872208277
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'''
 
'''
   
Commands
+
Commands:
  +
  +
To read a file in from the command line.
   
 
''xmakemol -f <file>''
 
''xmakemol -f <file>''

Latest revision as of 21:56, 1 August 2008

A program for visualizing atomic and molecular systems. It is fast and flexible enough to view clusters, and bioploymers The input format has one atom per line with an atom id followed by coordinates in x,y,z format. The first line of the file has the number of atoms in the system.

for example

    189
    <blank line>
    LA    1.78570323034613       -10.9443958236924        2.45504189405983
    LA   0.464015242641469       -11.3174520939861        1.75627872208277
    LA    2.96647061767429       -8.84206324219249        2.72807666151128

Commands:

To read a file in from the command line.

xmakemol -f <file>