Ecosyste.ms: Issues

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

GitHub / demianriccardi/p5-HackaMol issues and pull requests

#54 - Fix markup in README

Pull Request - State: closed - Opened by jwilk over 5 years ago - 1 comment

#53 - centered vector script

Issue - State: open - Opened by demianriccardi over 5 years ago

#52 - Added minimum perl version as suggested by CPANTS.

Pull Request - State: closed - Opened by manwar over 5 years ago

#51 - Added missing prereq namespace::autoclean as reported by CPANTS.

Pull Request - State: closed - Opened by manwar almost 6 years ago - 1 comment

#50 - uc(chain) is not correct. See 5afi

Issue - State: closed - Opened by demianriccardi over 6 years ago

#49 - System, universe, Mol_Coll or ... new class for collections of molecules

Issue - State: closed - Opened by dmr3 over 6 years ago
Labels: enhancement

#48 - adjust api for printing

Issue - State: closed - Opened by dmr3 over 6 years ago - 1 comment

#47 - Wish: add MMTF format for pdb read/write

Issue - State: closed - Opened by demianriccardi almost 7 years ago
Labels: enhancement

#46 - Wish: tied DCDs for easy analysis

Issue - State: closed - Opened by demianriccardi almost 7 years ago - 1 comment
Labels: enhancement

#45 - add support for renames with digits

Issue - State: closed - Opened by demianriccardi almost 7 years ago - 1 comment

#44 - four-letter resnames write faulty PDBs

Issue - State: closed - Opened by demianriccardi almost 7 years ago

#41 - Improve grouping with selection

Issue - State: closed - Opened by demianriccardi about 7 years ago - 2 comments

#40 - Ability to read different configurations into separate molecules

Issue - State: open - Opened by demianriccardi about 7 years ago - 1 comment
Labels: enhancement

#39 - Should we shift from OO to optional function exports in HackaMol.pm?

Issue - State: closed - Opened by dmr3 over 7 years ago - 2 comments

#38 - FileFetchRole test is failing with file not found

Issue - State: closed - Opened by dmr3 over 7 years ago

#37 - pull pdb stuff from filefetchrole into its own Role HackaMol-Roles

Issue - State: closed - Opened by demianriccardi about 8 years ago - 1 comment

#36 - Separate some core roles into their on repos

Issue - State: closed - Opened by demianriccardi about 8 years ago - 2 comments

#35 - Selections are needed

Issue - State: closed - Opened by demianriccardi about 8 years ago - 1 comment

#34 - pdb reader for common pdbs (no entry in col 78)

Issue - State: closed - Opened by demianriccardi about 8 years ago

#33 - Coerce HackaMol::Molecule into HackaMol::AtomGroup when pushed onto group

Issue - State: closed - Opened by demianriccardi over 8 years ago - 1 comment

#32 - HackaMol::Atom->new(coords=>[$mol->COM]);

Issue - State: closed - Opened by demianriccardi over 8 years ago

#31 - print all coordinates into one file

Issue - State: closed - Opened by demianriccardi over 8 years ago

#30 - Improve PDB writing for programs that render secondary structure

Issue - State: closed - Opened by demianriccardi over 8 years ago - 1 comment

#29 - Revisit delete_atom method in AtomGroupRole

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

#28 - Does HackaMol can parse out the solution of x-ray pdb?

Issue - State: closed - Opened by autolife almost 9 years ago - 2 comments
Labels: enhancement

#27 - getstore_pdbid

Issue - State: closed - Opened by autolife almost 9 years ago - 3 comments
Labels: enhancement

#26 - add cloning capabilities

Issue - State: open - Opened by demianriccardi about 9 years ago
Labels: enhancement

#25 - Add storage capabilities for objects

Issue - State: open - Opened by demianriccardi about 9 years ago - 1 comment
Labels: enhancement

#23 - HackaMol Molecule charge method does not set charge

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

#22 - Add tests for reading Coordinates from YAML

Issue - State: open - Opened by demianriccardi about 9 years ago

#21 - Add ability to print info to the second line of xyz files

Issue - State: closed - Opened by demianriccardi about 9 years ago - 1 comment
Labels: enhancement

#20 - the HackaMol::Molecule->gt does not set the t attribute

Issue - State: closed - Opened by sdrasmu12 about 9 years ago - 2 comments

#19 - HackaMol::Molecule->rotate_dihedral chokes on angle=0

Issue - State: open - Opened by demianriccardi about 9 years ago - 2 comments

#17 - is_constrained attribute to AtomGroupRole

Issue - State: closed - Opened by demianriccardi about 9 years ago
Labels: enhancement

#16 - enable a YAML molecular format derived from Z-Matrix reader

Issue - State: closed - Opened by demianriccardi about 9 years ago - 3 comments

#15 - charge method for molecules

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

#14 - SASA calculations

Issue - State: closed - Opened by demianriccardi about 9 years ago - 1 comment
Labels: enhancement, question

#12 - HackaMol::Molecule groups attribute

Issue - State: closed - Opened by demianriccardi about 9 years ago - 3 comments

#11 - ZMatrix reader needs to have iatom setting

Issue - State: closed - Opened by demianriccardi about 9 years ago - 1 comment

#10 - POD in the Read*Roles is funky

Issue - State: closed - Opened by demianriccardi about 9 years ago - 3 comments

#9 - No tests for Z-matrix reading

Issue - State: open - Opened by demianriccardi about 9 years ago

#8 - PDBQT file writing support

Issue - State: open - Opened by demianriccardi about 9 years ago

#7 - HackaMol::PeriodicTable needs to be reengineered

Issue - State: open - Opened by demianriccardi about 9 years ago

#6 - Refactor test suite

Issue - State: open - Opened by demianriccardi about 9 years ago
Labels: enhancement

#5 - Pull HackaMol::X::NERF into core and make Zmatrices useable

Issue - State: closed - Opened by demianriccardi about 9 years ago - 1 comment
Labels: enhancement

#4 - Improve documentation of the HackaMol.pm class

Issue - State: closed - Opened by demianriccardi about 9 years ago
Labels: enhancement

#3 - Make the PDB download seamless

Issue - State: closed - Opened by demianriccardi about 9 years ago - 3 comments
Labels: enhancement

#2 - Update PdbRole.pm

Pull Request - State: closed - Opened by autolife about 9 years ago - 2 comments

#1 - minor edit

Pull Request - State: closed - Opened by autolife over 9 years ago - 1 comment