WebHydride is an easy-to-use program and library written in Python that adds missing hydrogen atoms to molecular models based on known bond lengths and angles. Since it does not require force-field parameters for the specific molecule (s), it can be used for adding hydrogen atoms to almost any organic molecule - from small ligands to large protein ... Web# Code source: Patrick Kunzmann # License: BSD 3 clause from tempfile import gettempdir import numpy as np import matplotlib.pyplot as plt from matplotlib.lines import Line2D from matplotlib.patches import Rectangle import biotite import biotite.structure as struc import biotite.structure.io.mmtf as mmtf import biotite.sequence as seq import ...
The Biotite open-source bioinformatics Python library
WebOct 4, 2024 · This package is simple to use especially for the beginners in programming and computationally efficient because of the implementation of Numpy and Cython. Biotite … WebOct 1, 2024 · To annotate residue secondary structure, we use the P-SEA algorithm (32) as implemented by the biotite Python package (31). This constraint function returns one minus the fraction of residues that ... high throughput synthesis of zeolitic
Biotite: A unifying open source computational biology framework …
WebBiotite ( ) is a modern Python library for everyday tasks in sequence analysis and structural bioinformatics: Searching and fetching data from … Press J to jump to the feed. Press … WebBiotite project. Biotite is your Swiss army knife for bioinformatics. Whether you want to identify homologous sequence regions in a protein family or you would like to find disulfide bonds in a protein structure: Biotite has the right tool for you. This package bundles popular tasks in computational molecular biology into a uniform Python library. It can handle a … Webbiotite-dev / biotite / tests / structure / test_superimpose.py View on Github Take a structure and rotate and translate a copy of it, so that they are not superimposed anymore. Then superimpose these structure onto each other and expect an almost perfect match. high throughput small molecule screen