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22 lines
643 B
Plaintext
22 lines
643 B
Plaintext
easyblock = 'PackedBinary'
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name = 'S4MPLE'
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version = '1.0.0'
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homepage = 'http://infochim.u-strasbg.fr/spip.php?rubrique152'
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description = """S4MPLE (Sampler For Multiple Protein-Ligand Entities) is a flexible molecular modeling tool, supporting empirical
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force field-driven conformational sampling and geometry optimization heuristics using a hybrid genetic algorithm (GA).
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"""
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toolchain = {'name': 'dummy', 'version': 'dummy'}
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# download from http://infochim.u-strasbg.fr/IMG/gz/S4MPLE-tar.gz and rename to S4MPLE.tar.gz
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sources = ['S4MPLE.tar.gz']
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sanity_check_paths = {
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'files': ["S4MPLE"],
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'dirs': [],
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}
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moduleclass = 'chem'
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