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Daniel Stoeckel edited this page Feb 20, 2015 · 1 revision

How to convert between different molecular file formats?

BALL offers a MolFileFactory.

Supported file formats are

  • mol2
  • sdf
  • drf
  • ac
  • ent
  • brk
  • hin
  • mol
  • pdb
  • xyz

An exemplary utility application can be found in BALL/source/APPLICATIONS/UTILITIES/file_converter.C

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