dnaMD 2.1.0-foss-2018b-Python-3.6.6

Deprecated: Use of this version of dnaMD is deprecated. More information on our Applications Support and Retention Policy.

do_x3dna generates large amount of data and analyzing these data is difficult. Therefore, dnaMD is developed to analyze data obtained from do_x3dna. It contains set of tools to analyze the data. dnaMD is written in Python and it is also available as Python module. It can be used in Python scripting for fast and flexible analysis of do_x3dna data.

Accessing dnaMD 2.1.0-foss-2018b-Python-3.6.6

To load the module for dnaMD 2.1.0-foss-2018b-Python-3.6.6 please use this command on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs):

module load dnaMD/2.1.0-foss-2018b-Python-3.6.6

BEAR Apps Version

2018b

Architectures

EL8-cascadelake — EL8-haswell — Ubuntu20.04-haswell

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.

Extensions

  • dnaMD 2.1.0

More Information

For more information visit the dnaMD website.

Dependencies

This version of dnaMD has a direct dependency on: foss/2018b h5py/2.8.0-foss-2018b-Python-3.6.6 Python/3.6.6-foss-2018b

Last modified on 3rd June 2019