Ecosyste.ms: Issues

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

GitHub / douweschulte/pdbtbx issues and pull requests

#129 - Check memory footprint

Issue - State: open - Opened by OWissett 8 months ago

#128 - Refactor long functions

Issue - State: open - Opened by OWissett 9 months ago

#127 - Customize `StrictnessLevel`

Issue - State: open - Opened by rvhonorato 9 months ago - 9 comments

#126 - Add ReadOptions implementation

Pull Request - State: closed - Opened by y1zhou 9 months ago - 18 comments

#125 - Finish implementing the `ReadOptions`

Issue - State: closed - Opened by OWissett 9 months ago

#124 - Downgrade remark type number invalid error

Pull Request - State: closed - Opened by y1zhou 9 months ago - 5 comments

#123 - Read option to only parse `ATOM` records

Issue - State: closed - Opened by y1zhou 9 months ago - 5 comments
Labels: enhancement

#122 - Fall back strategy for headerless PDB files.

Issue - State: closed - Opened by OWissett 10 months ago - 2 comments
Labels: enhancement, good first issue

#121 - adds level to lexer for REMARKS to disable line length issues

Pull Request - State: closed - Opened by OWissett 10 months ago

#120 - Ow/pdb load options

Pull Request - State: closed - Opened by OWissett 10 months ago

#119 - REMARK Line Length Enforcement

Issue - State: closed - Opened by OWissett about 1 year ago - 2 comments

#118 - Update rstar requirement from 0.11 to 0.12

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

#117 - add `unique_conformer_names`

Pull Request - State: closed - Opened by rvhonorato over 1 year ago

#116 - add `chains_in_contact`

Pull Request - State: closed - Opened by rvhonorato over 1 year ago - 1 comment

#115 - Utilities?

Issue - State: closed - Opened by rvhonorato over 1 year ago - 6 comments

#114 - ReadOptions

Issue - State: closed - Opened by OWissett over 1 year ago

#113 - Bad Models in PDB

Issue - State: closed - Opened by OWissett over 1 year ago - 1 comment

#112 - Maybe make a Discord?

Issue - State: closed - Opened by OWissett over 1 year ago - 2 comments

#111 - Ow/gz

Pull Request - State: closed - Opened by OWissett over 1 year ago - 2 comments

#110 - Fixed chain auto-capitalisation issue

Pull Request - State: closed - Opened by OWissett over 1 year ago - 4 comments

#109 - Bad handling of PDB files containing mixed upper and lower case chains

Issue - State: closed - Opened by OWissett over 1 year ago - 3 comments

#108 - Update indexmap requirement from 1.8 to 2.0

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

#107 - Update rstar requirement from 0.10 to 0.11

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

#106 - Crates.io new version Request

Issue - State: closed - Opened by OWissett over 1 year ago - 1 comment

#105 - fixed issue #104

Pull Request - State: closed - Opened by OWissett over 1 year ago - 1 comment

#104 - Issues with `remove_models_except` implementation

Issue - State: closed - Opened by douweschulte over 1 year ago - 2 comments
Labels: bug

#103 - Added model removal helper functions

Pull Request - State: closed - Opened by OWissett over 1 year ago - 2 comments

#102 - Panic in `save/pdb.rs:517:29` at `Option::unwrap()` on a `None` value

Issue - State: closed - Opened by OWissett over 1 year ago - 3 comments

#101 - Add SASA support

Issue - State: open - Opened by OWissett over 1 year ago - 14 comments
Labels: enhancement

#100 - Support pdbML

Issue - State: open - Opened by douweschulte almost 2 years ago - 2 comments
Labels: enhancement

#99 - Allow for the use of compressed files

Issue - State: closed - Opened by douweschulte almost 2 years ago - 4 comments
Labels: enhancement

#98 - Update rstar requirement from ^0.9.2 to ^0.10.0

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago
Labels: dependencies

#97 - Unable to load poor-quality PDBs

Issue - State: closed - Opened by OWissett about 2 years ago - 6 comments

#96 - Panic while parsing

Issue - State: closed - Opened by bddap over 2 years ago - 3 comments

#95 - mmCIF format, atoms addressable only via label_* fields and not via auth_* fields

Issue - State: open - Opened by tzok over 2 years ago - 6 comments

#94 - Arc based atom bonds

Pull Request - State: open - Opened by douweschulte over 2 years ago - 9 comments

#93 - mmCIF parser has column requirements not in line with mmCIF specification

Issue - State: closed - Opened by tzok over 2 years ago - 3 comments

#92 - Possible bug parsing H atoms on nucleic structure

Issue - State: closed - Opened by brianjimenez over 2 years ago - 6 comments

#91 - Produce js package

Pull Request - State: closed - Opened by sverhoeven almost 3 years ago - 2 comments

#90 - Compress error messages for SEQRES

Issue - State: closed - Opened by douweschulte almost 3 years ago
Labels: enhancement

#89 - added example to sphere.rs

Pull Request - State: closed - Opened by DocKDE almost 3 years ago - 1 comment

#88 - Refactored to using HashMap while parsing #81

Pull Request - State: closed - Opened by douweschulte almost 3 years ago - 3 comments

#87 - lazystatic for storing Residue and Chain ids

Pull Request - State: closed - Opened by DocKDE almost 3 years ago - 2 comments

#86 - hacky workaround for using set membership check when adding new atoms

Pull Request - State: closed - Opened by DocKDE almost 3 years ago - 4 comments

#85 - Measurement

Pull Request - State: closed - Opened by DocKDE almost 3 years ago - 4 comments

#84 - Added atom sphere examples

Pull Request - State: closed - Opened by DocKDE almost 3 years ago - 1 comment

#83 - Proofreading

Pull Request - State: closed - Opened by DocKDE almost 3 years ago

#82 - Parsing performance

Pull Request - State: closed - Opened by DocKDE almost 3 years ago - 2 comments

#81 - Parsing performance

Issue - State: closed - Opened by DocKDE about 3 years ago - 20 comments

#80 - Support atom bonds

Issue - State: open - Opened by douweschulte about 3 years ago - 1 comment
Labels: enhancement

#79 - MutHierarchies are unsound

Issue - State: open - Opened by douweschulte about 3 years ago - 1 comment

#78 - Human friendly find methods

Issue - State: closed - Opened by douweschulte about 3 years ago - 2 comments
Labels: enhancement

#77 - Bump serde from 1.0.131 to 1.0.132

Pull Request - State: closed - Opened by dependabot[bot] about 3 years ago
Labels: dependencies

#76 - Bump serde_json from 1.0.72 to 1.0.73

Pull Request - State: closed - Opened by dependabot[bot] about 3 years ago
Labels: dependencies

#75 - Contributors preferences

Issue - State: closed - Opened by douweschulte about 3 years ago

#74 - Bump serde from 1.0.130 to 1.0.131

Pull Request - State: closed - Opened by dependabot[bot] about 3 years ago
Labels: dependencies

#73 - Bump serde_json from 1.0.68 to 1.0.72

Pull Request - State: closed - Opened by dependabot[bot] about 3 years ago - 3 comments
Labels: dependencies

#72 - changed how new chain ID is formed to iterator-based approach

Pull Request - State: closed - Opened by DocKDE over 3 years ago - 1 comment

#71 - Atom wraparound

Pull Request - State: closed - Opened by DocKDE over 3 years ago - 14 comments

#70 - Hierarchy mut

Pull Request - State: closed - Opened by DocKDE over 3 years ago

#69 - Mutable atoms_with_hierarchy

Issue - State: closed - Opened by DocKDE over 3 years ago - 13 comments
Labels: enhancement

#68 - added check for presence of parsed atoms

Pull Request - State: closed - Opened by DocKDE over 3 years ago - 2 comments

#67 - PDB file recognition

Issue - State: closed - Opened by DocKDE over 3 years ago - 6 comments

#66 - Residue serial numbers > 9999

Issue - State: closed - Opened by DocKDE over 3 years ago - 20 comments

#65 - Spatial lookup

Issue - State: closed - Opened by DocKDE over 3 years ago - 2 comments

#64 - Update mmCIF correspondences

Issue - State: open - Opened by douweschulte almost 4 years ago

#63 - add atom names and residues to reference table

Pull Request - State: closed - Opened by DocKDE almost 4 years ago - 3 comments

#62 - Parallel versions for constructor methods

Pull Request - State: closed - Opened by DocKDE almost 4 years ago - 1 comment

#61 - Proofread docs

Issue - State: closed - Opened by douweschulte almost 4 years ago
Labels: help wanted, good first issue

#60 - Add examples

Issue - State: closed - Opened by douweschulte almost 4 years ago - 2 comments
Labels: help wanted, good first issue

#59 - Serde support

Issue - State: closed - Opened by douweschulte almost 4 years ago

#58 - Multithreading support

Issue - State: closed - Opened by douweschulte almost 4 years ago - 7 comments

#57 - Spatial query support

Issue - State: closed - Opened by douweschulte almost 4 years ago - 6 comments

#56 - b-value out of bounds

Issue - State: closed - Opened by DocKDE almost 4 years ago - 6 comments

#55 - Merge minor changes

Pull Request - State: closed - Opened by douweschulte almost 4 years ago

#54 - atom() method Index

Issue - State: closed - Opened by DocKDE almost 4 years ago - 2 comments

#53 - Support MMTF

Issue - State: open - Opened by douweschulte almost 4 years ago
Labels: enhancement

#52 - Residue Name and Serial Number in Atom struct

Issue - State: closed - Opened by DocKDE almost 4 years ago - 2 comments

#51 - Atom serial numbers wrap at 9999

Issue - State: closed - Opened by DocKDE almost 4 years ago - 1 comment

#50 - Minimum b-factor value

Issue - State: closed - Opened by DocKDE almost 4 years ago - 2 comments

#49 - Parsing PDB file without header

Issue - State: closed - Opened by DocKDE almost 4 years ago - 2 comments

#48 - Get information across hierarchies

Issue - State: closed - Opened by DocKDE almost 4 years ago - 3 comments

#47 - SEQRES issues

Issue - State: closed - Opened by douweschulte almost 4 years ago
Labels: bug

#46 - Reassess the handling of Hetero atoms

Issue - State: closed - Opened by douweschulte almost 4 years ago - 1 comment
Labels: enhancement

#45 - Accept Hall symbols for symmetries

Issue - State: closed - Opened by douweschulte almost 4 years ago

#44 - Standardize precision of floating points in mmCIF output

Issue - State: closed - Opened by douweschulte almost 4 years ago
Labels: enhancement, good first issue

#43 - Support negative sequence numbers

Issue - State: closed - Opened by douweschulte almost 4 years ago
Labels: bug

#42 - Conformer copy incorrect occupancy

Issue - State: closed - Opened by douweschulte almost 4 years ago
Labels: bug

#41 - Document what is supported in open/save

Issue - State: closed - Opened by douweschulte almost 4 years ago

#40 - Generate data appropriate to strictnesslevel in save

Issue - State: closed - Opened by douweschulte about 4 years ago

#39 - Create continuous benchmarks

Issue - State: closed - Opened by douweschulte about 4 years ago - 2 comments

#38 - Add ENDMDL records

Issue - State: closed - Opened by douweschulte about 4 years ago
Labels: bug

#37 - Test another remove_child method

Issue - State: closed - Opened by douweschulte about 4 years ago - 1 comment

#36 - Detect overlapping atoms in validation

Issue - State: closed - Opened by douweschulte about 4 years ago - 1 comment
Labels: enhancement

#35 - Save 21.4MB in published crate by adding an include directive to manifest

Pull Request - State: closed - Opened by Byron about 4 years ago - 1 comment

#34 - Detect number overflows on save

Issue - State: closed - Opened by douweschulte about 4 years ago - 1 comment

#33 - Add lookup functions for elementary data on Atoms

Issue - State: closed - Opened by douweschulte about 4 years ago - 1 comment

#32 - Add a join on PDB (or extend?)

Issue - State: closed - Opened by douweschulte about 4 years ago

#31 - Have a good name, and publish!

Issue - State: closed - Opened by douweschulte about 4 years ago - 1 comment
Labels: help wanted

#30 - replace char/str/string with u8/[u8]/Vec<u8>

Pull Request - State: closed - Opened by TianyiShi2001 about 4 years ago