MSanalysis - A Push-based System for Molecular Simulation Data Analysis

Analysis Information

Analysis name:

Input the name for this analysis.

Number of atoms in per frame need to process:

Input the max number of atoms.

Bucket width:

Default number:50

The path of trajectory file:

eg: /path/to/start.trr.

The path of topology file:

eg: /path/to/start.tpr.

Queries and selections for process 1

First frame	Last frame	Min x	Min y	Min z	Max x	Max y	Max z	Atom names	Atom types	Molecule names

1. This running model need using Gromacs trajectory file and topology file as the inputs.

2. You can do more than one selection in a single processing, please add all the selections you want to run by the above Add selection button.

3. For the detail information of the queries above, please check the documents.

4. For the detail information of parameters in the selections above, please check the documents.

5. The lastframe parameter in selection should be less than the total number of frames in the input MS data.

This project is supported by a NIH R01 grant (R01-GM086707) & a NSF grant (CAREER, IIS-1253980)