Releases: prody/ProDy
v2.0.1
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
Major version released to PyPI on Feb 7th, 2021.
v1.11: Merge pull request #1182 from jamesmkrieger/prody-master
added scipy to pyproject.toml