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J. Cheminf.
2011
,
3
, 33
Table of Contents
Protein Data Bank format (ent, pdb)
Read Options
Write Options
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MDL MOL format (mdl, mol, sd, sdf)
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SMILES format (smi, smiles)
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Protein Data Bank format (ent, pdb)
¶
Read Options
¶
-s
Output single bonds only
-b
Disable bonding entirely
-c
Ignore CONECT records
Write Options
¶
-n
Do not write duplicate CONECT records to indicate bond order
-o
Write origin in space group label (CRYST1 section)
Navigation
index
modules
|
next
|
previous
|
Open Babel 3.0.1 documentation
»
Supported File Formats and Options
»
Common cheminformatics formats
»