CONVERT-PC

The program CONVERT allows chemical structural data held in one file format to be transformed into data in another format.

• The program will handle:-
  • Conversion of single files,
  • Conversion of series of single files having file names containing a numerical part
  • Conversion of series of files with filenames supplied in directory lists
  • Splitting up of certain type of multi- structure files
    
• The following input formats are catered for:-
  • INTERCHEM Format
  • SYBYL MOL and MOL2 Formats
  • MOPAC *.pro format
  • Cambridge Crystallographic Database XR Format
  • INSIGHT CAR Format
  • MDL MOLFile Format
  • MACROMODEL Format
    
• The following output formats are catered for:-
  • INTERCHEM Format
  • SYBYL MOL and MOL2 Formats
  • MOPAC or AMPAC *.dat format
  • Cambridge Crystallographic Database XR Format
  • INSIGHT CAR Format
  • MDL MOLFile Format
  • MACROMODEL Format
    
• The following types of multi-structure file may be split up
  • SYBYL Multi-MOL file
  • MDL SD file
  • INTERCHEM Multi-D file
    
• Note that the separate program PROTEINS-PC is available in the INTERCHEM package for extracting data from the Protein Databank, and converting the structures into INTERCHEM format.

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Revised 14th June 2007