Ecosyste.ms: Issues
An open API service for providing issue and pull request metadata for open source projects.
GitHub / franciscoadasme/chem.cr issues and pull requests
#225 - Add a convenience method to move origin
Issue -
State: open - Opened by franciscoadasme 4 months ago
Labels: kind:feature, topic:spatial, priority:normal
#100 - Add resname/kind option to element guess helper
Issue -
State: open - Opened by franciscoadasme over 3 years ago
Labels: kind:feature, topic:topology, priority:normal
#100 - Add resname/kind option to element guess helper
Issue -
State: open - Opened by franciscoadasme over 3 years ago
Labels: kind:feature, topic:topology, priority:normal
#99 - Refactor template registry to be able to create custom registries
Issue -
State: closed - Opened by franciscoadasme over 3 years ago
- 1 comment
Labels: kind:feature, topic:templates, priority:high
#99 - Refactor template registry to be able to create custom registries
Issue -
State: closed - Opened by franciscoadasme over 3 years ago
- 1 comment
Labels: kind:feature, topic:templates, priority:high
#98 - Optimize `Residue#bonded?(Residue)`
Issue -
State: open - Opened by franciscoadasme over 3 years ago
Labels: topic:topology, kind:optimization, priority:high
#98 - Optimize `Residue#bonded?(Residue)`
Issue -
State: open - Opened by franciscoadasme over 3 years ago
Labels: topic:topology, kind:optimization, priority:high
#97 - `HlxParams#pitch` is half of the expected value for inf. chain with 2 residues
Issue -
State: closed - Opened by franciscoadasme over 3 years ago
Labels: kind:bug, topic:spatial, priority:normal
#97 - `HlxParams#pitch` is half of the expected value for inf. chain with 2 residues
Issue -
State: closed - Opened by franciscoadasme over 3 years ago
Labels: kind:bug, topic:spatial, priority:normal
#96 - Align lattice vectors to xyz when writing PDB
Issue -
State: closed - Opened by franciscoadasme over 3 years ago
- 1 comment
Labels: kind:bug, topic:io, priority:urgent
#96 - Align lattice vectors to xyz when writing PDB
Issue -
State: closed - Opened by franciscoadasme over 3 years ago
- 1 comment
Labels: kind:bug, topic:io, priority:urgent
#95 - Incorrect bond orders in aromatic rings
Issue -
State: closed - Opened by maurobedoya over 3 years ago
- 1 comment
Labels: kind:bug, topic:topology, priority:high
#95 - Incorrect bond orders in aromatic rings
Issue -
State: closed - Opened by maurobedoya over 3 years ago
- 1 comment
Labels: kind:bug, topic:topology, priority:high
#94 - Refactored text parsing
Pull Request -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:refactor, kind:optimization, breaking-change
#94 - Refactored text parsing
Pull Request -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:refactor, kind:optimization, breaking-change
#93 - Split chains when renumbering by connectivity
Pull Request -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:bug, topic:topology
#93 - Split chains when renumbering by connectivity
Pull Request -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:bug, topic:topology
#92 - Added residue fragments methods
Pull Request -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:feature, topic:core
#92 - Added residue fragments methods
Pull Request -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:feature, topic:core
#91 - Pre-compute parameters in QUESSO
Pull Request -
State: closed - Opened by franciscoadasme over 4 years ago
- 1 comment
Labels: topic:topology, kind:optimization
#91 - Pre-compute parameters in QUESSO
Pull Request -
State: closed - Opened by franciscoadasme over 4 years ago
- 1 comment
Labels: topic:topology, kind:optimization
#90 - Residue-wise fragments
Issue -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:feature, topic:core
#90 - Residue-wise fragments
Issue -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:feature, topic:core
#89 - TER records per fragment
Issue -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:feature, topic:io, priority:normal
#89 - TER records per fragment
Issue -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:feature, topic:io, priority:normal
#88 - Check entity before deleting entry in cache table
Pull Request -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:bug, topic:topology
#88 - Check entity before deleting entry in cache table
Pull Request -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:bug, topic:topology
#87 - Read left-justified element in PDB
Pull Request -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:bug, topic:io
#87 - Read left-justified element in PDB
Pull Request -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:bug, topic:io
#86 - Deleting a chain invalidates internal table when id is duplicated
Issue -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:bug, topic:topology
#86 - Deleting a chain invalidates internal table when id is duplicated
Issue -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:bug, topic:topology
#85 - Renumbering does not split non-connected residues in the same chain
Issue -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:bug, topic:topology
#85 - Renumbering does not split non-connected residues in the same chain
Issue -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:bug, topic:topology
#84 - Fail to read atom element in PDB
Issue -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:bug, topic:io
#84 - Fail to read atom element in PDB
Issue -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:bug, topic:io
#83 - Improved residue renumbering
Pull Request -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:bug, topic:topology
#83 - Improved residue renumbering
Pull Request -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:bug, topic:topology
#82 - Bad residue numbering
Issue -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:bug, topic:topology
#82 - Bad residue numbering
Issue -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:bug, topic:topology
#81 - Added QUESSO executable
Pull Request -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:feature, topic:topology
#81 - Added QUESSO executable
Pull Request -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:feature, topic:topology
#80 - FIxed PDB secondary structure record order
Pull Request -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:bug, topic:io
#80 - FIxed PDB secondary structure record order
Pull Request -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:bug, topic:io
#79 - Fixed PDB secondary structure order
Pull Request -
State: closed - Opened by franciscoadasme over 4 years ago
#79 - Fixed PDB secondary structure order
Pull Request -
State: closed - Opened by franciscoadasme over 4 years ago
#78 - PDB now writes secondary structure information
Pull Request -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:feature, topic:io
#78 - PDB now writes secondary structure information
Pull Request -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:feature, topic:io
#77 - Added secondary structure assignment method QUESSO
Pull Request -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:feature, topic:topology
#77 - Added secondary structure assignment method QUESSO
Pull Request -
State: closed - Opened by franciscoadasme over 4 years ago
Labels: kind:feature, topic:topology
#76 - Update crystal version to 0.34
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
#76 - Update crystal version to 0.34
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
#75 - PDB can now read first chain only
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:feature, topic:io
#75 - PDB can now read first chain only
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:feature, topic:io
#74 - Refactored bond assignment from CONECT record
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:bug, topic:io
#74 - Refactored bond assignment from CONECT record
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:bug, topic:io
#73 - PDB fails when assigning bonds for skipped atoms
Issue -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:bug, topic:io
#73 - PDB fails when assigning bonds for skipped atoms
Issue -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:bug, topic:io
#72 - Atom mutable properties
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:feature, topic:core
#72 - Atom mutable properties
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:feature, topic:core
#71 - Added PBC support for measurements
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:feature, topic:spatial
#71 - Added PBC support for measurements
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:feature, topic:spatial
#70 - Residue#previous and #next are now computed properties
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:feature, topic:core, breaking-change
#70 - Residue#previous and #next are now computed properties
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:feature, topic:core, breaking-change
#69 - Always assign residue types for unknown residues
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:bug, topic:topology
#69 - Always assign residue types for unknown residues
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:bug, topic:topology
#68 - Refactored topology perception
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:refactor, topic:topology, breaking-change
#68 - Refactored topology perception
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:refactor, topic:topology, breaking-change
#67 - Fixed incorrect residue types for unknown residue with non-standard names
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:bug, topic:topology
#67 - Fixed incorrect residue types for unknown residue with non-standard names
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:bug, topic:topology
#66 - Narrow bonded residue search by bond type
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:feature, topic:core
#66 - Narrow bonded residue search by bond type
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:feature, topic:core
#65 - Fixed number formatting in CHGCAR and LOCPOT
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:bug, topic:io
#65 - Fixed number formatting in CHGCAR and LOCPOT
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:bug, topic:io
#64 - Cannot read CHGCAR with no spaces between numbers
Issue -
State: closed - Opened by franciscoadasme almost 5 years ago
- 1 comment
Labels: kind:bug, wontfix, topic:io
#64 - Cannot read CHGCAR with no spaces between numbers
Issue -
State: closed - Opened by franciscoadasme almost 5 years ago
- 1 comment
Labels: kind:bug, wontfix, topic:io
#63 - Writing CHGCAR fails to leave spaces between numbers
Issue -
State: closed - Opened by franciscoadasme almost 5 years ago
- 1 comment
Labels: kind:bug, topic:io
#63 - Writing CHGCAR fails to leave spaces between numbers
Issue -
State: closed - Opened by franciscoadasme almost 5 years ago
- 1 comment
Labels: kind:bug, topic:io
#62 - Added case equality to Atom
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:feature, topic:core
#62 - Added case equality to Atom
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:feature, topic:core
#61 - Refactored bond type
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:refactor, topic:templates, breaking-change
#61 - Refactored bond type
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:refactor, topic:templates, breaking-change
#60 - Added Residue#bonded_residues
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:feature, topic:topology
#60 - Added Residue#bonded_residues
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:feature, topic:topology
#59 - Topology objects are now comparable
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:feature, topic:topology
#59 - Topology objects are now comparable
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:feature, topic:topology
#58 - Added missing insertion code in Residue's string repr.
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:bug, topic:core
#58 - Added missing insertion code in Residue's string repr.
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:bug, topic:core
#57 - Use current maximum covalent distance for bond search
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: topic:topology, kind:optimization
#57 - Use current maximum covalent distance for bond search
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: topic:topology, kind:optimization
#56 - PBC images now are correctly generated for non-wrapped atoms
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:bug, topic:spatial
#55 - Guess topology of unknown atoms
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:bug, topic:topology
#55 - Guess topology of unknown atoms
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:bug, topic:topology
#54 - Fixed some #each_* methods in views
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:bug, topic:core
#54 - Fixed some #each_* methods in views
Pull Request -
State: closed - Opened by franciscoadasme almost 5 years ago
Labels: kind:bug, topic:core
#53 - Detect special filenames on Structure#write
Pull Request -
State: closed - Opened by franciscoadasme about 5 years ago
Labels: kind:bug, topic:io
#53 - Detect special filenames on Structure#write
Pull Request -
State: closed - Opened by franciscoadasme about 5 years ago
Labels: kind:bug, topic:io
#52 - Preserve atom ordering in POSCAR
Pull Request -
State: closed - Opened by franciscoadasme about 5 years ago
Labels: kind:bug, topic:io
#52 - Preserve atom ordering in POSCAR
Pull Request -
State: closed - Opened by franciscoadasme about 5 years ago
Labels: kind:bug, topic:io
#51 - Fixed PDB misalignment for four-letter residue names
Pull Request -
State: closed - Opened by franciscoadasme about 5 years ago
Labels: kind:bug, topic:io
#51 - Fixed PDB misalignment for four-letter residue names
Pull Request -
State: closed - Opened by franciscoadasme about 5 years ago
Labels: kind:bug, topic:io