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schwede
openstructure
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1b75756d
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1b75756d
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1 month ago
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Studer Gabriel
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update scoring example README
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examples/scoring/README.md
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@@ -9,11 +9,13 @@ OpenStructure provides "actions" for general benchmarking use cases.
polymer entities and non-polymer entities, i.e. small molecule ligands
The example commands here assume an OpenStructure installation
(compile instructions: https://openstructure.org/docs/dev/install/). Detailed
instructions for running equivalent computations are available for
(compile instructions: https://openstructure.org/docs/dev/install/).
Running the computations in containers provide a considerably easier setup than
compiling OpenStructure from source. Instructions for setup and running
equivalent computations are available for
*
Docker: https://git.scicore.unibas.ch/schwede/openstructure/tree/master/docker
*
Singularity https://git.scicore.unibas.ch/schwede/openstructure/tree/master/singularity
*
Singularity
:
https://git.scicore.unibas.ch/schwede/openstructure/tree/master/singularity
The command
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