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
#43 - select_group method gives warnings on mixed type attrs (number/letter)
Issue -
State: closed - Opened by demianriccardi almost 7 years ago
#42 - FileFetch Role failures are related to https for file downloads
Issue -
State: closed - Opened by demianriccardi about 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
#24 - Should a molecule be able to spit build other molecules from an atom selection?
Issue -
State: closed - Opened by demianriccardi about 9 years ago
- 1 comment
#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
#18 - Trouble with reading in pdb_print method has "%4s" or " %-3s"
Issue -
State: closed - Opened by demianriccardi about 9 years ago
#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
#13 - HackaMol::Molecule POD needs to be updated and improved
Issue -
State: open - Opened by demianriccardi about 9 years ago
#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