nbehrnd

Pinned Repositories

appendfilename
Intelligent appending text to file names, considering file extensions and file tags
Language:Python0 2 00
aRMSD
Pairwise structural comparison of .xyz, a fork of aRMSD to work without PyInstaller in Linux. Note the project «aRMSD-minimalWindowsSupport», too.
Language:Python4 3 20
aRMSD-compiler
Since the original compile_aRMSD.py for Windows in aRMSD/aRMSD seems to be broken, a correction with flake8/pylint and http://pep8online.com. Comments by testers are welcome.
Language:Python0 2 00
aRMSD-minimalWindowsSupport
This provides the minimal support to work at all with aRMSD in Windows 7 (32 bit, Python 2.7; or 64 bit, Python 3.6).
0 3 00
datawarrior_saturate_Murcko_scaffolds
Artifical "saturation" of Bemis-Murcko scaffolds retrieved with DataWarrior.
Language:Python2 2 10
date2name
Handling time-stamps and date-stamps in file names
Language:Python0 2 00
DEK_VS_svg
An Anki deck about DEK, a form of German stenography, built with public domain .svg illustrations found in wikimedia
Language:Python2 3 00
moreland-gnuplot-palettes
A reformat of Kenneth Moreland's color palettes to work with them in gnuplot.
Language:Gnuplot2 3 01
pdf_rewriter
Optimize .pdf by «reprint to pdf» by ghostcript in color, or gray; if present, text layer, internal crosslinks (e.g., TOC) and hyperlinks (e.g., to websites) may be preserved.
Language:Shell3 3 01
xyz2pov
Converts .xyz coordinate files to povray scenes
Language:Python0 1 10

nbehrnd's Repositories

nbehrnd/datawarrior_saturate_Murcko_scaffolds
Artifical "saturation" of Bemis-Murcko scaffolds retrieved with DataWarrior.
Language:Python2 2 10
nbehrnd/date2name
Handling time-stamps and date-stamps in file names
Language:Python0 2 00
nbehrnd/xyz2pov
Converts .xyz coordinate files to povray scenes
Language:Python0 1 10
nbehrnd/commitizen
Create committing rules for projects :rocket: auto bump versions :arrow_up: and auto changelog generation :open_file_folder:
Language:Python0 0
nbehrnd/denote
Simple notes for Emacs with an efficient file-naming scheme
Language:Emacs Lisp
nbehrnd/depict
SMILES Depiction Generator
Language:Java
nbehrnd/filetags
Management of simple tags within file names
Language:Python
nbehrnd/forimage
A Fortran library for reading and writing images. Please note that ForImage is currently under development.
Language:Fortran
nbehrnd/Fortran-packages-list
List of projects that can be built with the Fortran Package Manager
Language:Python1 0
nbehrnd/Fortran-related-books
Books with Fortran code, other than textbooks
1 0
nbehrnd/fpm-completions
Command-line completion functions for the Fortran Package Manager.
Language:Shell1 0
nbehrnd/fprettify
auto-formatter for modern fortran source code
Language:Python1 0
nbehrnd/fragments
Molecular fragments and inorganic ligands for rapidly building structures
Language:Python1 0
nbehrnd/free-science-books
Inspired by free-programming-books, here's free-science-books
2 0
nbehrnd/githug
Git your game on!
Language:Shell1 0
nbehrnd/guess-filename.py
Derive a file name according to old file name cues and/or PDF file content
Language:Python1 0
nbehrnd/guidemol
GUIDEMOL: a Python graphical user interface for molecular descriptors based on RDKit
Language:Python
nbehrnd/learnxinyminutes-docs
Code documentation written as code! How novel and totally my idea!
Language:Markdown1 0
nbehrnd/markdownlint
Markdown lint tool
Language:Ruby1 0
nbehrnd/Memacs
What did I do on February 14th 2007? Visualize your (digital) life in Org-mode
Language:Python1 0
nbehrnd/mopac
Molecular Orbital PACkage
Language:Fortran
nbehrnd/numpy
The fundamental package for scientific computing with Python.
Language:Python1 0
nbehrnd/openbabel
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
Language:C++1 0
nbehrnd/pandoc
Universal markup converter
Language:Haskell
nbehrnd/rdkit
The official sources for the RDKit library
Language:HTML1 0
nbehrnd/Setzer
LaTeX editor written in Python with Gtk
Language:HTML1 0
nbehrnd/shell-novice
The Unix Shell
Language:CSS1 0
nbehrnd/two.avogadro.cc
Documentation and development website for Avogadro2
Language:Python
nbehrnd/WebPlotDigitizer
HTML5 based online tool to extract numerical data from plot images.
Language:JavaScript1 0
nbehrnd/xyz2mol
Converts an xyz file to an RDKit mol object
Language:Python0 0