topas_tools - 1.0.2

What's Changed

• Fix scitbx miller array crashes by @stefsmeets in https://github.com/stefsmeets/topas_tools/pull/8

Full Changelog: https://github.com/stefsmeets/topas_tools/compare/1.0.1...1.0.2

- Python
Published by stefsmeets 10 months ago

topas_tools - 1.0.1

This release fixes an issue that prevented topas_tools from being installed from pypi.

- Python
Published by stefsmeets about 3 years ago

topas_tools - 1.0.0

This version of topas_tools works with Python 3.9 and higher.

You can now download and install topas_tools from pypi directly into your conda environment:

conda create -n topas_tools -c conda-forge cctbx-base
conda activate topas_tools
pip install topas_tools

- Python
Published by stefsmeets about 3 years ago

topas_tools - Topas tools

These are set of small scripts and tools that were developed to help with structure refinement (of zeolites in particular) using the program TOPAS.

This version updates the documentation and makes the installation compatible with 2021 using conda.

- Python
Published by stefsmeets almost 5 years ago

topas_tools - Topas tools

Installation on Windows

Dependencies: python 2.7.11 (x64) numpy 1.10.0b1 (attached) scipy 0.16.0 (attached) CCTBX 1. Install Python Run python-2.7.11.amd64.msi Make sure to click "Add python.exe to Path", and to restart/relog so that changes take effect. 2. Install scipy & numpy pip install .\scipy-0.16.0-cp27-none-win_amd64.whl pip install .\numpy-1.10.0b1-cp27-none-win_amd64.whl 3. Install matplotlib & pandas pip install matplotlib pip install pandas 4. Install CCTBX: Unzip cctbx_mini-0.1.0-x64.zip Run setupwin.bat or run python setup.py install 5. Install topastools: Unzip topas_tools-0.1.2.zip Run setup_win.bat or run python setup.py install You can use ./bin/topasdiff.bat as a shortcut for the topasdiff gui

The alternative is to get the .whl files from here: http://www.lfd.uci.edu/~gohlke/pythonlibs/#numpy http://www.lfd.uci.edu/~gohlke/pythonlibs/#scipy http://www.lfd.uci.edu/~gohlke/pythonlibs/#matplotlib http://www.lfd.uci.edu/~gohlke/pythonlibs/#pandas

- Python
Published by stefsmeets over 9 years ago