Changelog

v0.3.13 (2023-07-27)

  • Correct formatting error in documentation

v0.3.12 (2023-07-27)

  • Update MANIFEST to include existing_requirements.txt

v0.3.11 (2023-07-27)

  • Update requirements for existing IDPConformerGenerator environment

  • Update documentations for installation for clarity

v0.3.10 (2023-05-11)

  • Update README to include citation and JOSS button

v0.3.9 (2023-05-10)

  • Correct repository for versioning and Git actions

v0.3.8 (2023-05-10)

  • Update minor “co-ordinates” to “coordinates” in docs

v0.3.7 (2023-05-10)

  • Update changelog and minor formatting for README

v0.3.6 (2023-05-10)

  • Update paper affiliations

v0.3.5 (2023-05-02)

  • Implement minor editorial suggestions from issue #51

v0.3.4 (2023-04-26)

  • Minor corrections to documentation

v0.3.3 (2023-04-15)

  • Update acknowledgements section of manuscript

v0.3.2 (2023-04-13)

  • Update and make references uniform for manuscript

v0.3.1 (2023-04-12)

  • Correct ‘ATSAS 2.8’ formatting in references of paper

  • Include in RtD documentation explanations of back-calculators

  • Combine formatting for input/output in usage section of RtD documentation

v0.3.0 (2023-04-10)

  • Update results in the figure to include PRE and NOE as per #43

  • Add plotting feature to rh, jc, pre, noe modeules

v0.2.3 (2023-03-27)

  • Update example usage documentation

v0.2.2 (2023-03-07)

  • Update installation documentation

  • Temporarily change requirements for default IDPConformerGenerator repository link

v0.2.1 (2023-03-06)

  • Update client setup

  • Add warning for updating the environment when pulling

v0.2.0 (2023-01-27)

  • Adds natsort as dependency to yield ordered results

  • Results will be sorted as how they will appear on your OS

v0.1.16 (2023-01-18)

  • Fixes input file extension validataion for PDB files

  • Implements data validation for input experimental files

  • Clarifies documentation for these changes

  • Addresses issues in #35

v0.1.15 (2023-01-16)

  • Install IDPConformerGenerator while resolving the conda env

  • Addresses bug in issue #33

v0.1.14 (2022-11-28)

  • Automatically catch CSpred missing import issue

  • Addresses issue #31

v0.1.13 (2022-09-30)

  • Modify SAXS module to follow “format” in output

v0.1.12 (2022-09-29)

  • Minor edits for the paper

v0.1.11 (2022-09-28)

  • Bugfix for smFRET module with output formatting error

v0.1.10 (2022-09-20)

  • Re-test for PR

v0.1.9 (2022-09-20)

  • Add buttons on README

v0.1.8 (2022-09-19)

  • Update authors

  • Add ASCII art for SPyCi-PDB

v0.1.7 (2022-09-19)

  • Create unit tests for internal calculators and parsers

v0.1.6 (2022-09-14)

  • Edits to manuscript per Sept 7 comments from Dr. Julie Forman-Kay

  • Add figure 1 to paper

v0.1.5 (2022-09-08)

  • Edits to the manuscript per Aug 29 comments from Dr. Julie Forman-Kay

  • Fix documentation error for RDC module

  • Fix small issue of CS module output

v0.1.4 (2022-09-01)

  • Update failing tests

  • Upload manuscript, bibliography, and tests for JOSS (#21)

v0.1.3 (2022-09-01)

  • Update RtD link in README.rst

v0.1.2 (2022-08-31)

  • Minor fix to gitworkflows for tests

v0.1.1 (2022-08-31)

  • Modularize all calculator components

  • Remove Python 3.7 from requirements

v0.1.0 (2022-08-24)

  • Lint everything

v0.0.15 (2022-08-24)

  • Update README documentation

  • Update ReadTheDocs format and associated docs

v0.0.14 (2022-08-23)

  • Upgrade CS module for multiprocessing with UCBShift

  • Update installation instructions for UCBShift

v0.0.13 (2022-08-22)

  • Logic/module to link PALES v6.0 for RDC back-calculator (#14)

  • Documentation for installing dependencies for PALES v6.0 for Ubuntu 20.04 LTS

v0.0.12 (2022-08-12)

  • Logic/module to link HullRad for Rh back-calculator (#13)

v0.0.11 (2022-08-12)

  • Logic/module to link CRYSOL 3.0 for SAXS back-calculator (#12)

  • Documentation for installing CRYSOL 3.0 on top of SPyCi-PDB

v0.0.10 (2022-08-12)

  • Logic/module to link UCBShift for CS back-calculator (#10)

  • Documentation for installing UCBShift on top of SPyCi-PDB

v0.0.9 (2022-08-10)

  • Logic/module for smFRET back-calculator (#9)

v0.0.8 (2022-08-10)

  • Logic/module for NOE back-calculator (#8)

  • Refractor get_pdb_paths

v0.0.7 (2022-08-10)

  • Examples folder and some usage documentation (#7)

v0.0.6 (2022-08-10)

  • Logic/module for JC back-calculator (#6)

v0.0.5 (2022-08-09)

  • Logic/module for PRE back-calculator (#5)

v0.0.4 (2022-08-08)

  • Documentation for installing IDPConformerGenerator as a library (#4)

v0.0.3 (2022-08-08)

  • Core CLI backbone and base libs required (#2)

  • Basic documentation for installation and updates

v0.0.2 (2022-08-08)

  • Fix reference to python-project-skeleton (#3)

v0.0.1 (2022-07-28)

  • Housekeeping items (#1)

  • Building based on python-project-skeleton

  • Renaming and changing base structure