Skip to content

Biotite 0.19.1
Compare
Choose a tag to compare
@padix-key padix-key released this 24 Dec 11:59
v0.19.1
fb0f96a
This commit was created on GitHub.com and signed with GitHub’s verified signature. The key has expired.
GPG key ID: 4AEE18F83AFDEB23
Expired
Learn about vigilant mode.

Changelog

Additions

  • FASTA files can be downloaded from RCSB PDB via database.rcsb
  • Added structure.rotate_about_axis() and structure.align_vectors()
  • Added shape property and copy() method to structure.Atom
  • All array-like objects can be used to set an annotation array in an atom array (stack)
  • Added structure.info.residue() for getting the standard atoms and their coordinates for a given residue name
  • Added structure.graphics.plot_atoms() for interactive molecular visualization
  • Added exclusive_stop parameter to structure.get_residue_starts and structure.get_chain_starts
  • Added connect_via_residue_names() and connect_via_distances() for calculating a structure.BondList for a structure.AtomArray

Changes

  • structure.rotate() does not rotate the box of an atom array (stack) anymore
  • structure.BondList equality is not order dependent

Fixes

  • structure.BondList accepts all dtypes for integer arrays
  • structure.BondList accepts negative integers as indices
  • sequence.io.fasta.FastaFile: Tests for invalid or empty files
  • structure.io.pdb.PDBFile: Exception is raised if an invalid field in extra_fields is given
  • structure.rotate(): Fixed rotation direction
Assets 14
Loading