OctaDist package for PyPI.
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Updated
Jun 9, 2019 - Python
OctaDist package for PyPI.
Practical course report - Determination of the pyrite's crystallographic structure
Procesa patrones de difracción de forma semiautomágica con XDS.
Builds a dichromatic pattern of twinning (type I and type II) for the space group P2/m
Solid state physics project for DIPC
MSc project (2017-2019). XRD simulation of bulk crystals in MATLAB.
This Repository contains my companion scripts to PorphyStruct. Feel free to use, steal some code or do whatever you like 😎
Using fast_dp @ work to test on cbf and hdf5 files.
A flexible Python library for atomic structure generation.
This repository is for a simple C++ console application that can read POSCAR files and print atomic distances between one atom and a selection of other atoms.
Fast automated protocol generation for crystallisation screens
Preliminary investigation of machine learning techniques to perform parameters estimation for cube type crystal structure.
A command-line tool and Mac App for opening Quantum ESPRESSO files with VESTA
3 demos of basic crystallography concepts
Program to add sequences and data collection statistics to mmCIF files for PDB deposition
A Program for the Calculation of Effective One-Particle Potentials (OPPs)
Tutorials of OctaDist.
CCD is a web application that facilitates protein crystallography experiments. In this repository you can find the core of the application.
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