Skip to content

Commit 780cc59

Browse files
committed
Updated version number and changelog
1 parent 905ef47 commit 780cc59

File tree

4 files changed

+9
-15
lines changed

4 files changed

+9
-15
lines changed

CITATION.cff

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -1,5 +1,5 @@
11
title: pdbtbx
2-
version: 0.10.0
2+
version: 0.10.1
33
abstract: A library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.
44
authors:
55
- affiliation: Utrecht University

Cargo.toml

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -1,6 +1,6 @@
11
[package]
22
name = "pdbtbx"
3-
version = "0.10.0"
3+
version = "0.10.1"
44
authors = ["Douwe Schulte <d.schulte@uu.nl>"]
55
license = "MIT"
66
edition = "2021"

README.md

Lines changed: 3 additions & 13 deletions
Original file line numberDiff line numberDiff line change
@@ -68,19 +68,9 @@ The features where support is planned are planned to be included in the 1.0 rele
6868
* The crate has many ways of iterating over the PDB structure to allow for convenient access and control over the performance.
6969

7070
## Latest update
71-
### v0.10.0 'Enumerated Elements'
72-
* Moved from string based elements to enums see `Element`, this means that the `Atom::set_element`, `Atom::element`, and `Term::element` have changed
73-
* Deprecated the following functions `Atom::atom_number`, `Atom::atomic_radius`, `Atom::covalent_bond_radii`,
74-
and `Atom::vanderwaals_radius` the radius functions are replaced with `Element::atomic_radius` which contains
75-
all these measures in the struct `AtomicRadius`
76-
* Added `Element::weight` and `Element::electro_negativity` data
77-
* Implemented `Extend` for all levels in the PDB hierarchy
78-
* Implemented `FromIterator` for the `PDB` struct
79-
* Removed requirement for `atom_site.pdbx_formal_charge`, `atom_site.group_PDB`, `atom_site.occupancy`, and `atom_site.B_iso_or_equiv` for mmCIF files (thanks to #93)
80-
* Added support for SCALE, ORIGX, and MTRIX in mmCIF files (open and save)
81-
* Fixed ignoring some of the `auth_*` series of mmCIF columns, by giving them precedence over the `label_*` columns in `seq_id` and `asym_id` (thanks to #95)
82-
* Fixed remark-type-number 400 missing from the valid number list (thanks to #96)
83-
* Fixed a small bug in saving MtriX records (thanks to #96)
71+
### v0.10.1
72+
* Added more amino acids for `is_amino_acid`
73+
* Implemented Display for `StrictnessLevel`
8474

8575
Also see [changelog](https://github.com/douweschulte/pdbtbx/blob/master/changelog.md).
8676

changelog.md

Lines changed: 4 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -1,6 +1,10 @@
11
# Changelog
22
All versions are properly annotated on [github](https://github.com/douweschulte/pdbtbx/releases) so there the source code for each version can be retrieved.
33

4+
### v0.10.1
5+
* Added more amino acids for `is_amino_acid`
6+
* Implemented Display for `StrictnessLevel`
7+
48
### v0.10.0 'Enumerated Elements'
59
* Moved from string based elements to enums see `Element`, this means that the `Atom::set_element`, `Atom::element`, and `Term::element` have changed
610
* Deprecated the following functions `Atom::atom_number`, `Atom::atomic_radius`, `Atom::covalent_bond_radii`,

0 commit comments

Comments
 (0)