DOE CODE   /    Search Results   /    pnnl/PTMPSI

pnnl/PTMPSI

RESOURCE

Publicly Accessible Repository
https://github.com/pnnl/ptmpsi
https://doi.org/10.11578/dc.20230703.1

SAVE / SHARE



PNNL Badge

Abstract

PTM-Psi is a Python 3 package that combines several capabilities to streamline the workflow to interrogate the impact of PTMs on proteins using well-established software packages. The workflow of the PTM-Psi software package includes input files and launch instances from standard packages such as AlphaFold, NWChem, GROMACS, and the Autodock Suite
Developers:
Mejia-Rodriguez, Daniel [1] ;  Central, PNNL Developer [1] ;  Cheung, Margaret [2] ;  Kim, Hoshin [2] ;  Valiev, Marat [2]
  1. Pacific Northwest National Laboratory
  2. Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
Release Date:
2023-07-03
Project Type:
Open Source, Publicly Available Repository
Software Type:
Scientific
Licenses:
BSD 3-clause "New" or "Revised" License
Sponsoring Org.:
Code ID:
108926
Site Accession Number:
Battelle IPID 32790-E
Research Org.:
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
Country of Origin:
United States

RESOURCE

Publicly Accessible Repository
https://github.com/pnnl/ptmpsi
https://doi.org/10.11578/dc.20230703.1

SAVE / SHARE



PNNL Badge

Citation Formats

Mejia-Rodriguez, Daniel, Central, PNNL Developer, Cheung, Margaret, Kim, Hoshin, and Valiev, Marat. pnnl/PTMPSI. Computer Software. https://github.com/pnnl/ptmpsi. USDOE. 03 Jul. 2023. Web. doi:10.11578/dc.20230703.1.
Mejia-Rodriguez, Daniel, Central, PNNL Developer, Cheung, Margaret, Kim, Hoshin, & Valiev, Marat. (2023, July 03). pnnl/PTMPSI. [Computer software]. https://github.com/pnnl/ptmpsi. https://doi.org/10.11578/dc.20230703.1.
Mejia-Rodriguez, Daniel, Central, PNNL Developer, Cheung, Margaret, Kim, Hoshin, and Valiev, Marat. "pnnl/PTMPSI." Computer software. July 03, 2023. https://github.com/pnnl/ptmpsi. https://doi.org/10.11578/dc.20230703.1.
@misc{ doecode_108926,
title = {pnnl/PTMPSI},
author = {Mejia-Rodriguez, Daniel and Central, PNNL Developer and Cheung, Margaret and Kim, Hoshin and Valiev, Marat},
abstractNote = {PTM-Psi is a Python 3 package that combines several capabilities to streamline the workflow to interrogate the impact of PTMs on proteins using well-established software packages. The workflow of the PTM-Psi software package includes input files and launch instances from standard packages such as AlphaFold, NWChem, GROMACS, and the Autodock Suite},
doi = {10.11578/dc.20230703.1},
url = {https://doi.org/10.11578/dc.20230703.1},
howpublished = {[Computer Software] \url{https://doi.org/10.11578/dc.20230703.1}},
year = {2023},
month = {jul}
}