moleculekit.pdbx.writer.PdbxWriter module

Classes for writing data and dictionary containers in PDBx/mmCIF format.

exception moleculekit.pdbx.writer.PdbxWriter.PdbxError

Bases: Exception

Class for catch general errors

class moleculekit.pdbx.writer.PdbxWriter.PdbxWriter(ofh=<_io.TextIOWrapper name='<stdout>' mode='w' encoding='UTF-8'>)

Bases: object

Write PDBx data files or dictionaries using the input container or container list.

setRowPartition(numRows)

Maximum number of rows checked for value length and format

write(containerList)
writeContainer(container)