ProDy 2.1 Series

2.1.2 (April 27, 2022)

Bug Fixes and Improvements:

New :function:`.showRMSFlucts` and :function:`.calcRMSFlucts` for root-mean-square fluctuations

fix to :function:`.showAtomicLines` for overlaying multiple chains

2.1.1 (April 18, 2022)

Bug Fixes and Improvements:

:function:`.parseScipionModes` can handle having a pdb file or not

fix to mmCIF header parsing for chemicals in blocks not loops

2.1.0 (April 8, 2022)

New Features:

Integration with Scipion

New functions :function:`.parseScipionModes`, :function:`.writeScipionModes`

and :function:`.calcScipionScore`

New argument –export-scipion (-S) in prody apps

Other

Added :function:`.assignBlocks` for assigning blocks for RTB

Added mmCIF header parsing to create the same header dictionary as PDB header,

including secstr information and biomolecular assembly building

New arguments for prody apps, including altloc, zeros, sparse, kdtree and turbo

Bug Fixes and Improvements:

Improvement to cealign mapping to be faster for protein only alignment

Bug fix for writing psf files

Full Changelog: https://github.com/prody/ProDy/compare/v2.0.2…v2.1.0