18 lines
624 B
Plaintext
18 lines
624 B
Plaintext
#%Module1.0
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module-whatis "qFit - automated multiconformer model building for X-ray and cryo-EM"
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module-url "https://github.com/ExcitedStates/qfit-3.0"
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module-license "MIT"
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module-maintainer "MX Data <jiaxin.duan@psi.ch>"
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module-help "
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qFit 3: qfit_protein, qfit_ligand, qfit_covalent_ligand, edia and
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friends, in a private Python venv with cvxopt + IBM CPLEX Community
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Edition as MIQP solvers. The post-refinement scripts
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(qfit_final_refine_xray.sh) expect phenix on PATH - load a phenix
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module for those.
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"
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setenv QFIT_ENV $PREFIX/venv
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prepend-path PATH $PREFIX/venv/bin
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