Merging Files with Format Conversion: structcat
This utility merges several files of the same type and writes them out to a single file, with format conversion if the file type is different. If the output file type is PDB, multi-structure input files are split into separate PDB files, rather than merged. The syntax of the command is:
structcat -iformat inputfile [-iformat inputfile2 ...] [-oformat] outputfile
where format can be one of the following:
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Maestro format |
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V2000 SDfile format |
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PDB format |
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Sybyl ( |
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SMILES format |
Conversions are performed with the utilities described here, except that SMILES conversion is done with libraries from Canvas. If the output format is omitted, the format is determined from the file extension. Compressed files can be used, and different input file formats can be used.