There is a newer version of molmodMolMod is a Python library with many compoments that are useful to write molecular modeling programs.
Accessing molmod 1.4.5-foss-2020a-Python-3.8.2
To load the module for molmod 1.4.5-foss-2020a-Python-3.8.2 please use this command on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs):
module load molmod/1.4.5-foss-2020a-Python-3.8.2
There is a GPU enabled version of this module: molmod 1.4.5-fosscuda-2020a-Python-3.8.2
BEAR Apps Version
The listed architectures consist of two part: OS-CPU.
- BlueBEAR: The OS used on BlueBEAR 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.
- BEAR and CaStLeS Cloud VMs: These VMs can have one of two OSes. Those with access to a BEAR Cloud or CaStLeS VM should check that the listed architectures for an application include the OS of VM being used. The VMs, irrespective of OS, will use the haswell CPU type.
For more information visit the molmod website.
This version of molmod has a direct dependency on: foss/2020a matplotlib/3.2.1-foss-2020a-Python-3.8.2 Python/3.8.2-GCCcore-9.3.0
This version of molmod is a direct dependent of: yaff/1.6.0-foss-2020a-Python-3.8.2
These versions of molmod are available on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs). These will be retained in accordance with our Applications Support and Retention Policy.
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Last modified on 30th November 2020