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MX_Pmodule/EM/cryodrgn/modulefile
Spencer Bliven 052151c0a9 Create cryodrgn pmodule
Wraps the conda environment
2022-10-19 17:06:27 +02:00

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#%Module
module-whatis "cryoDRGN: Deep Reconstructing Generative Networks for cryo-EM heterogeneous reconstruction"
module-url "https://github.com/zhonge/cryodrgn"
module-license "GPL v3.0"
module-maintainer "Spencer Bliven <spencer.bliven@psi.ch>"
module-help "
CryoDRGN is a neural network based algorithm for heterogeneous cryo-EM
reconstruction. In particular, the method models a continuous distribution over
3D structures by using a neural network based representation for the volume.
> CryoDRGN: reconstruction of heterogeneous cryo-EM structures using neural
> networks. Ellen D. Zhong, Tristan Bepler, Bonnie Berger, Joseph H. Davis.
> https://www.nature.com/articles/s41592-020-01049-4
> Reconstructing continuous distributions of 3D protein structure from cryo-EM
> images. Ellen D. Zhong, Tristan Bepler, Joseph H. Davis, Bonnie Berger.
> ICLR 2020, Spotlight presentation, https://arxiv.org/abs/1909.05215
"
# Check for supported shell types
set shelltype [module-info shelltype]
switch -- $shelltype {
"sh" {
puts stdout "source \"\${ANACONDA_PREFIX}\"/admintools/conda_setup.sh;\n"
}
default {
puts stderr "Shells of type '$shelltype' are NOT supported!"
}
}
# Determine useflags and construct conda env name
set list [split $V "_"]
set version [lindex ${list} 0]
set useflags [lrange ${list} 1 end]
set env_to_activate [string tolower ${P}]-${version}
switch [module-info mode] {
"load" {
# Relies on the anaconda module being loaded since we need to update the path
puts stdout "conda activate $env_to_activate;\n"
}
"unload" -
"remove" {
puts stdout "conda deactivate;\n"
}
}