maeparser 1.3.1-gompi-2022b

maeparser is a parser for Schrodinger Maestro files.

Accessing maeparser 1.3.1-gompi-2022b

To load the module for maeparser 1.3.1-gompi-2022b please use this command on the BEAR systems (BlueBEAR and BEAR Cloud VMs):

📋 module load bear-apps/2022b
module load maeparser/1.3.1-gompi-2022b

BEAR Apps Version

2022b

Architectures

EL8-cascadelake — EL8-icelake — EL8-sapphirerapids

The listed architectures consist of two part: OS-CPU. The OS used is represented by EL and there are several different processor (CPU) types available on BlueBEAR. More information about the processor types on BlueBEAR is available on the BlueBEAR Job Submission page.

More Information

For more information visit the maeparser website.

Dependencies

This version of maeparser has a direct dependency on: Boost/1.81.0-GCC-12.2.0 gompi/2022b

Required By

This version of maeparser is a direct dependent of: CoordgenLibs/3.0.2-gompi-2022b OpenBabel/3.1.1-gompi-2022b

Last modified on 3rd November 2023