https://pypi.org/project/gradpose/ Recent updates to the Python Package Index for gradpose en https://pypi.org/project/gradpose/0.1/ GradPose is a novel structural superimposition command-line tool and Python package for PDB files. dtrademaker@gmail.com, kevinvg207business@gmail.com Fri, 23 Dec 2022 14:17:13 GMT https://pypi.org/project/gradpose/0.0.1/ GradPose is a novel structural superimposition command-line tool and Python package for PDB files. GradPose uses gradient descent to incrementally approach the optimal rotation matrices (via quaternions) for alignment. It is memory efficient and enables for the quick alignment of thousands to millions of protein structures to a template structure while also providing exact control over which chain and specific residues to align. If a GPU is available, it can use CUDA acceleration. author@example.com, kevinvg207business@gmail.com Fri, 23 Dec 2022 13:49:21 GMT