Description
This routine detects cyclic (5- or 6-member ring) saccharide residues in PDB files. The output is intended for use with other computer programs. Humans can read the output, but in general, they will not find it pleasant. Please see the ‘See Also’ section, below.
Usage
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detect_sugars PDB_file.pdb |
The output goes to standard out (your terminal window, usually).
So, alternately:
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detect_sugars PDB_file.pdb > output_file_name |
Dependencies
GEMSHOME must be set.
The amino acid detection occurs via this file:
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GEMSHOME/gmml/dat/CurrentParams/leaprc.ff12SB_2014-04-24/amino12.lib |
If you need to use an alternate set of amino acid residues, change that variable in the script.