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MX_Pmodule/PanDDA/modulefile
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duan_jandClaude Fable 5 cb65827159 PanDDA 0.2.14: new module via ccp4-python pip, ccp4/9.0 dep
Installs panddas into its own prefix (--prefix + --ignore-installed) so the
shared ccp4/9.0 module is never modified; PYTHONPATH prepend shadows the
ccp4-bundled copy. ccp4/9.0 is build- and runtime dependency.

Co-Authored-By: Claude Fable 5 <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_0152MuuYUaapP7CtxrDAfvBh
2026-08-24 20:23:38 +02:00

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#%Module1.0
module-whatis "PanDDA: multi-dataset crystallographic analysis for fragment screening"
module-url "https://pandda.bitbucket.io"
module-license "CC BY-SA 4.0"
module-maintainer "Jiaxin Duan <jiaxin.duan@psi.ch>"
module-help "
PanDDA (panddas) installed into its own prefix with ccp4/9.0's ccp4-python.
ccp4/9.0 is auto-loaded as a runtime dependency; the PYTHONPATH prepend below
shadows the panddas copy bundled inside ccp4.
Main entry point: pandda.analyse
"
prepend-path PATH $PREFIX/bin
prepend-path PYTHONPATH $PREFIX/site-packages