Standarize PDB files for Molecular Dynamics

files from another job e.g., 614e0a1b

Clean up a structure, get current order of atoms.

This is also the submission format required for OpenMM.

The raw output files for each step of the pipeline can be found here and downloaded as a ZIP file here.


This is almost the same as "Standardize your PDB files" with option to remove starting OP3 atoms.

We are exploring using https://piwik.pro to track usage of the server for grant proposals, scientific presentations.

Please write to us if there is any problem with your job mail us [behind Apple Hide My Mail].