diff --git a/modules/m3/applications/phenix/2.1-6048.lua b/modules/m3/applications/phenix/2.1-6048.lua new file mode 100644 index 00000000..e87cf04e --- /dev/null +++ b/modules/m3/applications/phenix/2.1-6048.lua @@ -0,0 +1,13 @@ +whatis("Phenix") +family("phenix") + +load("miniforge") +source_sh('bash', '/hpc/m3/apps/phenix/2.1-6048/phenix_env.sh') + +help([[Name: Phenix +Version: 2.1-6048 +Website: https://phenix-online.org/ +License Owners: John LaGrone / requested by Zoltowski / Approved by Dr. Hites + +A comprehensive software package for macromolecular structure determination using crystallographic (X-ray, neutron and electron) and electron cryo-microscopy data. +]]) \ No newline at end of file diff --git a/modules/m3/applications/xtrapol8/1.2.9.lua b/modules/m3/applications/xtrapol8/1.2.9.lua new file mode 100644 index 00000000..cdb1a224 --- /dev/null +++ b/modules/m3/applications/xtrapol8/1.2.9.lua @@ -0,0 +1,14 @@ +whatis("Xtrapol8") +family("xtrapol8") + +load("phenix/2.1-6048") +load("ccp4/9.0.015") + +set_alias("X8", "phenix.python /hpc/m3/apps/xtrapol8/1.2.9/Fextr.py") + +help([[Name: Xtrapol8 +Version: 1.2.9 +Website: https://github.com/ElkeDeZitter/Xtrapol8 + +Xtrapol8 is software for the calculation of Fourier difference maps, extrapolated structure factor ampltiudes (ESFAs) and estimation of the occupancy of at triggered state that occupies the crystal at low occupancy. +]]) \ No newline at end of file