DOE OSTI · code-155308
PNNL-Predictive-Phenomics/ProCaliper
Abstract
ProCaliper is a Python library that curates, organizes, and computes protein structure features in a way that easily interfaces with user-provided experimental data. It extracts or computes protein binding site, active site, charge, pLDDT (order/disorder), acid dissociation, protonation, solvent accessible surface area, disulfide bond distance, and protein secondary structure data using precomputed protein structures and publicly available databases. It provides a unified API for integrating additional residue-level data and for visualizing residue features in 3D.
Keep this discovery
Explore connections, maps & timelines
Rozum, Jordan [Pacific Northwest National Lab], (馮松), Song Feng [Pacific Northwest National Laboratory], Im, Alexandria [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)], Anderson, Lindsey N [Pacific Northwest National Laboratory], Ufford, Hunter [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]. 2025-05-14. PNNL-Predictive-Phenomics/ProCaliper. https://doi.org/10.11578/dc.20250514.1
Cite the original work for its findings. Save a collection to share your selection of sources.