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Releases: prody/ProDy

v2.0.1

21 Dec 13:32
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2.0.1 (Dec 20, 2021)

New Features:

  • Added :function:.calcRWSIP for comparing sets of modes

  • New methods to convert :class:.Atom, :class:.Atomic and :class:.EMDMAP
    to TEMPy objects, allowing calculations such as cross-correlation coefficient (CCC)
    to EM maps.

  • Added :func:.calcDynamicFlexibilityIndex and :func:.calcDynamicCouplingIndex
    for further interpretation of PRS results.

  • Reinstated the option of using forces in PRS as in ProDy v1.8 (turbo=**False**)

  • Added GitHub Actions Continuous Integration in place of Travis.

Bug Fixes and Improvements:

  • Compatibility and bug fixes for various functions, including pyparsing for selections.

  • Extended :class:.AdaptiveANM to work with other models including explicit membrane
    ANM, :class:.exANM.

  • Improved capabilities for fetching and parsing mmCIF and EMD files.

  • Improved handling of residue and serial numbers including hexadecimal and hybrid36 formats.

  • Consistency fixes.

  • More non-standard amino acids (MEN, CSB, CME).

Full Changelog: v2.0...v2.0.1

ProDy 2.0

22 Feb 12:27
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Major version released to PyPI on Feb 7th, 2021.

v1.11: Merge pull request #1182 from jamesmkrieger/prody-master

01 Oct 17:45
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