DPICT : MD Visualization and Analysis Tool
DPICT tool will be able to read various trajectory file formats like AMBER, GROMACS etc. and carry out various analyses on structural parameters, in a parallel manner.
DPICT helps in accelerated and enhanced visualization and analysis of the data obtained from drug repurposing and discovery studies. This would pose as an useful tool for the research organizations and pharmaceutical industries.
- Viewing multiple structures and trajectories simultaneously.
- Tool can Read various input files formats like PDB, AMBER and GROMACS.
- Multi Threading has been incorporated to improve the performance of the tool.
- Visualization on multiple windows in a single view for different or same trajectory files. Supports maximum of 9 windows for trajectories
- Synchronous operations can be performed for selected trajectories in a different window.
- Carrying out multiple analyses at the same instance for multiple trajectories would help in comparison of the trajectories.
- Outputs from these various calculations are exported to graph plotting software like GNU Plot, XMGRACE etc.
It support 3D visualization of trajectory
Platform Required (if any)
Linux Operating System preferably Ubuntu 20, Prerequisite library as on installation.
Contact Details for Techno Commercial Information
HPC-MBA (High Performance Computing – Medical and Bioinformatics Applications) Group
Address: HPC-M&BA Group
C-DAC Innovation Park,
Pune - 411 008, Maharashtra (India)