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-mdloDefault -mdloMV30). (Note that a spurious warning
is generated by OEChem 1.4.2 when the atom count exceeds 999 with MDL V3000 output.)
(Note that V3000 reading is not yet available.)
Also included are improvements to PDB handling.
-quiet added, to avoid banner and verbose messages.
-chunk, -chunk_prefix, -chunk_molcount and
-chunk_filecount added, to facilitate the task of splitting an input
file into several output files. This can be useful for simple "divide and
conquer" approaches to parallel processing. This replicates the functionality
of the Rocs auxiliary program chunker but with format control.
-add2d added, to generate and add 2D coordinates.
This feature is disabled in the absence of a valid Ogham (oedepict) license.
Very useful for generating 2D SD files from 3D or 0D input (e.g. PDB,
SMILES). 2D coordinates are required for preserving cis/trans
stereochemistry in SD files. This task can also be done with the Ogham
program depict.
-stereofrom3d added, to perceive stereochemistry from
3D coordinates, for writing to a non-3D format.
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