PDBsearch

PDBsearch is a tool for batch execution of MMQL scripts.

To run PDBsearch:

cd mmqlsoft 
pdbsearch mmqlscript.q

where mmqlscript.q is a MMQL script file.

Recommended file extensions

*.q - MMQL scripts

*.r - input files for READ command of MMQL

*.w - output files for WRITE command of MMQL

This extensions are default for PDBquery and are strongly recommended for using in MMQL scripts.

Format of input files (*.r) for MMQL READ command (example):

!LIST_OF_COMPOUNDS
/pdbold2/3ebx.pdb
/pdbold2/4fxn.pdb
/pdbold2/4hhb.pdb

First line must be "!LIST_OF_COMPOUNDS". Next and following lines provide references to PDB entries (files in flat-file mode and Compound IDs in database mode).

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