Skip to content

ReadMe.md

Latest commit

 

History

History
39 lines (26 loc) · 845 Bytes

ReadMe.md

File metadata and controls

39 lines (26 loc) · 845 Bytes
Raw

Concat Mol2

Summary

Opens a set of mol2 files in the working directory and creates one concatenated multi-mol2 file. Optionally delete the individual mol2 files other than the new concat.mol2

Requirements

  • CSD Python API not required.
  • Mol2 files must be in the same directory.

Licensing Requirements

No license required.

Instructions on running

> python concat_mol2.py

Help output:

python concat_mol2.py -h
usage: concat_mol2.py [-h] [-d]

optional arguments:
  -h, --help            show this help message and exit
  -d, --delete_contributors
                        Remove contributing individual mol2 files after
                        concatenation

Author

Peter Galek (2014)

For feedback or to report any issues please contact support@ccdc.cam.ac.uk