Ecosyste.ms: Issues

An open API service for providing issue and pull request metadata for open source projects.

GitHub / chemlab/chemlab issues and pull requests

#152 - Bump numpy from 1.7.0 to 1.22.0

Pull Request - State: open - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#151 - display_system

Issue - State: open - Opened by EdsonArchela almost 7 years ago

#150 - conda install shows package conflicts

Issue - State: open - Opened by lucentdan about 7 years ago - 2 comments

#149 - Jupyter notebook on mybinder.org not working

Issue - State: open - Opened by robertodr over 8 years ago - 2 comments

#148 - The conda installer

Issue - State: closed - Opened by salotz almost 9 years ago - 4 comments

#147 - Review abstractions for chemlab.db

Issue - State: open - Opened by gabrielelanaro almost 9 years ago - 1 comment

#146 - Get rid of IOHandler abstraction

Issue - State: open - Opened by gabrielelanaro almost 9 years ago

#145 - "Pythonizing" chemlab.io.IOHandler API

Issue - State: closed - Opened by jaimergp almost 9 years ago - 3 comments

#144 - Add a Gitter chat badge to README.md

Pull Request - State: closed - Opened by gitter-badger almost 9 years ago

#143 - Orthographic projection

Issue - State: open - Opened by gabrielelanaro almost 9 years ago
Labels: graphics

#142 - In installation add PyPI and pip

Issue - State: closed - Opened by salotz almost 9 years ago - 3 comments

#140 - Revisit bond guessing

Issue - State: closed - Opened by gabrielelanaro almost 9 years ago

#139 - Random box generator sometimes generate inconsistent results

Issue - State: open - Opened by gabrielelanaro almost 9 years ago
Labels: bug

#138 - BallAndStickRenderer should admit color_scheme keyword

Issue - State: closed - Opened by jaimergp about 9 years ago

#137 - Improved outline by adding color

Pull Request - State: closed - Opened by gabrielelanaro about 9 years ago

#136 - Dynamically adjusted OutlineEffect line width, and coloring

Issue - State: closed - Opened by jaimergp about 9 years ago - 4 comments

#135 - Ribbon renderer

Issue - State: closed - Opened by jaimergp about 9 years ago - 5 comments

#134 - PermissionError: [Errno 13] Permission denied: '/usr/local/share/jupyter

Issue - State: closed - Opened by hainm over 9 years ago - 7 comments

#133 - view Trajectory

Issue - State: closed - Opened by hainm over 9 years ago - 1 comment

#132 - QtViewer: objects 'bleed' through the opposite side if out-of-window

Issue - State: closed - Opened by jaimergp over 9 years ago - 1 comment

#131 - QtViewer does not properly handles window resize

Issue - State: closed - Opened by jaimergp over 9 years ago - 2 comments

#130 - QtViewer Failure

Issue - State: closed - Opened by oscarbranson over 9 years ago - 1 comment

#129 - Make rdf more robust and move it

Issue - State: closed - Opened by gabrielelanaro over 9 years ago

#128 - cclib return Molecule

Issue - State: closed - Opened by gabrielelanaro almost 10 years ago

#127 - chemlab view

Issue - State: closed - Opened by ben-albrecht almost 10 years ago - 6 comments

#126 - Option to Parse from cclib

Issue - State: closed - Opened by ben-albrecht almost 10 years ago - 1 comment

#125 - fixed center of mass formula

Pull Request - State: closed - Opened by rpforrest almost 10 years ago - 2 comments

#124 - IPython notebook demo not working on MacOS X

Issue - State: closed - Opened by oseledets about 10 years ago - 2 comments

#123 - clang-compatible

Pull Request - State: closed - Opened by cxhernandez about 10 years ago

#122 - System.copy

Issue - State: closed - Opened by gabrielelanaro over 10 years ago
Labels: core

#121 - Trying to install chemlab on Fedora 20

Issue - State: closed - Opened by smarocchi almost 11 years ago - 7 comments

#120 - Document Pickers

Issue - State: closed - Opened by gabrielelanaro almost 11 years ago
Labels: doc

#119 - Error to read .edr file

Issue - State: closed - Opened by leonqli almost 11 years ago - 4 comments

#118 - graphics: saving and restoring camera state

Issue - State: closed - Opened by gabrielelanaro almost 11 years ago
Labels: graphics

#117 - Showing Progress

Issue - State: closed - Opened by gabrielelanaro almost 11 years ago
Labels: graphics, idea

#116 - GROMACS tutorial, add random_lattice_box when creating water box

Issue - State: closed - Opened by gabrielelanaro almost 11 years ago
Labels: doc

#115 - Outlines by meaning of selecting stuff

Issue - State: closed - Opened by gabrielelanaro almost 11 years ago
Labels: graphics, idea

#114 - Commands in the molecular viewer

Issue - State: closed - Opened by gabrielelanaro almost 11 years ago
Labels: core

#113 - Expanded chemlabdb, documentation tweaks

Pull Request - State: closed - Opened by ajjackson about 11 years ago

#112 - Is there a way to execture commands when the system is displayed?

Issue - State: closed - Opened by yotama9 about 11 years ago - 1 comment

#111 - I can't install this on a fresh ubuntu install.

Issue - State: closed - Opened by yotama9 about 11 years ago - 2 comments

#110 - Running on a fresh Ubuntu install

Issue - State: closed - Opened by yotama9 about 11 years ago - 2 comments

#109 - waffle.io Badge

Pull Request - State: closed - Opened by waffleio over 11 years ago

#108 - Make clearer the file opening mode in io

Issue - State: closed - Opened by gabrielelanaro over 11 years ago
Labels: io

#107 - Fix documentation

Issue - State: closed - Opened by gabrielelanaro over 11 years ago - 9 comments
Labels: doc

#106 - PDB writing

Issue - State: open - Opened by gabrielelanaro over 11 years ago - 15 comments
Labels: io

#105 - Document new bond handling

Issue - State: closed - Opened by gabrielelanaro over 11 years ago
Labels: doc

#104 - Python 3 porting

Issue - State: closed - Opened by gabrielelanaro over 11 years ago

#103 - Documenting new post processing effects

Issue - State: closed - Opened by gabrielelanaro over 11 years ago
Labels: doc

#102 - RCSB Pdb database

Issue - State: closed - Opened by gabrielelanaro over 11 years ago

#101 - gamma correction

Issue - State: closed - Opened by gabrielelanaro over 11 years ago
Labels: graphics

#100 - Implement outlining effect (as a post processing)

Issue - State: closed - Opened by gabrielelanaro over 11 years ago
Labels: graphics

#99 - Implement some selection visual clue

Issue - State: closed - Opened by gabrielelanaro over 11 years ago
Labels: graphics

#98 - Physical properties database

Issue - State: closed - Opened by gabrielelanaro over 11 years ago - 5 comments

#97 - Support for bond types

Issue - State: closed - Opened by gabrielelanaro over 11 years ago - 10 comments

#96 - Toon shading

Issue - State: closed - Opened by gabrielelanaro over 11 years ago
Labels: graphics

#95 - Volumetric rendering for molecular orbitals

Issue - State: open - Opened by gabrielelanaro over 11 years ago
Labels: graphics

#94 - Protein space-filling

Issue - State: closed - Opened by gabrielelanaro over 11 years ago
Labels: graphics

#93 - Implement protein backbone with cylinders

Issue - State: closed - Opened by gabrielelanaro over 11 years ago
Labels: graphics

#92 - Multiple post processing effects

Issue - State: closed - Opened by gabrielelanaro over 11 years ago
Labels: graphics

#91 - Cylinder impostors

Issue - State: closed - Opened by gabrielelanaro over 11 years ago
Labels: graphics

#90 - integration of chemspyder

Issue - State: closed - Opened by PythonicChemist over 11 years ago - 7 comments

#88 - Write 0.2 docs update

Issue - State: closed - Opened by gabrielelanaro over 11 years ago
Labels: doc

#87 - Bundle quantities to handle conversions

Issue - State: closed - Opened by gabrielelanaro over 11 years ago

#86 - The boxsize attribute leads to problem let's remove it

Issue - State: closed - Opened by gabrielelanaro over 11 years ago
Labels: core

#85 - Ipython notebook could possibly show trajectories as videos!

Issue - State: closed - Opened by gabrielelanaro over 11 years ago
Labels: idea

#84 - Write a more general Ipython viewer

Issue - State: closed - Opened by gabrielelanaro over 11 years ago
Labels: graphics

#83 - camera auto-zoom

Issue - State: closed - Opened by gabrielelanaro over 11 years ago
Labels: graphics

#82 - ipython notebook integration using offscreen opengl rendering

Issue - State: closed - Opened by gabrielelanaro over 11 years ago
Labels: graphics

#81 - Post processing effects

Issue - State: closed - Opened by gabrielelanaro over 11 years ago
Labels: graphics

#80 - Cythonize CoverTree for even faster neighbour searching

Issue - State: closed - Opened by gabrielelanaro over 11 years ago
Labels: idea

#79 - make rdf less memory hungry

Issue - State: closed - Opened by gabrielelanaro over 11 years ago

#78 - We want the correct vdw radii

Issue - State: closed - Opened by gabrielelanaro over 11 years ago
Labels: graphics

#77 - PDB reader generate the bonds for the amminoacids

Issue - State: closed - Opened by gabrielelanaro over 11 years ago - 1 comment

#76 - Wireframe Renderer

Issue - State: closed - Opened by gabrielelanaro over 11 years ago
Labels: graphics

#75 - Ball and Stick renderer

Issue - State: closed - Opened by gabrielelanaro over 11 years ago
Labels: graphics

#74 - Revisit the distance finding algorithms

Issue - State: closed - Opened by gabrielelanaro over 11 years ago

#73 - Adding bonds to systems and molecules

Issue - State: closed - Opened by gabrielelanaro over 11 years ago
Labels: core

#72 - Easier way to make random water boxes and alike

Issue - State: closed - Opened by gabrielelanaro over 11 years ago
Labels: core

#71 - Molecular dynamics with UFF

Issue - State: open - Opened by gabrielelanaro over 11 years ago - 1 comment
Labels: idea

#70 - ipython notebook integration, with chemdoodle molecular viewer

Issue - State: closed - Opened by gabrielelanaro over 11 years ago - 1 comment
Labels: idea

#69 - CML reader and writer

Issue - State: closed - Opened by gabrielelanaro over 11 years ago
Labels: io

#68 - radial distribution function implementation

Issue - State: closed - Opened by gabrielelanaro over 11 years ago

#64 - We can develop an interface for fast distance finding

Issue - State: closed - Opened by gabrielelanaro over 11 years ago - 3 comments
Labels: core

#63 - Implement a BondRenderer

Issue - State: closed - Opened by gabrielelanaro over 11 years ago
Labels: graphics

#62 - Implement bond recognition for molecules.

Issue - State: closed - Opened by gabrielelanaro over 11 years ago
Labels: core

#60 - chemlab.core: extending default Atom, Molecule and System classes

Issue - State: closed - Opened by gabrielelanaro over 11 years ago - 1 comment
Labels: core

#59 - Implement cell linked list method to quickly find atoms within a certain distance

Issue - State: closed - Opened by gabrielelanaro over 11 years ago - 1 comment
Labels: core

#58 - chemlab.data Design

Issue - State: closed - Opened by gabrielelanaro over 11 years ago - 1 comment

#57 - Handling of virtual sites and nonstandard atoms

Issue - State: closed - Opened by gabrielelanaro over 11 years ago
Labels: core

#56 - rethink merge_system overlap handling

Issue - State: closed - Opened by gabrielelanaro over 11 years ago
Labels: core

#52 - BoxRenderer should be able to put the box in other positions than the origin

Issue - State: closed - Opened by gabrielelanaro over 11 years ago
Labels: graphics

#50 - Making a basic molecular viewer

Issue - State: closed - Opened by gabrielelanaro over 11 years ago - 1 comment

#49 - graphics: Implement SSAO

Issue - State: closed - Opened by gabrielelanaro over 11 years ago - 1 comment
Labels: graphics

#41 - GRO parser, find a way to parse MOST files consistently.

Issue - State: closed - Opened by gabrielelanaro over 11 years ago

#35 - graphics: Implement picking of objects

Issue - State: closed - Opened by gabrielelanaro over 11 years ago - 2 comments
Labels: graphics

#32 - graphics: create ArrowRenderer

Issue - State: closed - Opened by gabrielelanaro over 11 years ago

#27 - PDB parser

Issue - State: closed - Opened by gabrielelanaro over 11 years ago
Labels: io