Open Babel: Difference between revisions

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== <code>openbabel-omp</code> == <!--T:6-->
== <code>openbabel-omp</code> == <!--T:6-->
This is the parallel version of Open Babel which has OpenMP parallelization enabled.
This is the version of Open Babel which has OpenMP parallelization enabled.


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==== Example ==== <!--T:10-->
==== Example ==== <!--T:10-->
The following job would take the [https://en.wikipedia.org/wiki/Chemical_table_file#SDF Structural Data File] <code>many_molecules.sdf</code>
The following job takes the [https://en.wikipedia.org/wiki/Chemical_table_file#SDF Structural Data File] <code>many_molecules.sdf</code>,
which in this case should contain a database with many molecules and generate Canonical [https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system SMILES] representations for each of them, using two CPU-cores.
which in this case should contain a database with many molecules, and generates Canonical [https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system SMILES] representations for each of them, using two CPU-cores.
{{File
{{File
   |name=parallel_openbabel_job.sh
   |name=parallel_openbabel_job.sh
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