Changelog
Additions
- Support stack-wise iteration over trajectory files (#420)
- Support
Path
objects inFile.read()
- Improved filters for different types of residues in structure
subpackage
(#425)filter_amino_acids()
now also filters for non-canonical amino acidsfilter_nucleotides()
uses an updated list of nucleotides- New
filter_carbohydrates()
filters for saccharides filter_canonical_amino_acids()
andfilter_canonical_nucleotides()
filter the respective canonical residues- New
structure.info.carbohydrate_names()
andstructure.info.amino_acid_names()
give a list of residue names considered as carbohydrates and amino acids, respectively
application.LocalApp
now supports input to STDIN- Improved ViennaRNA interfaces (#435)
- Added
application.viennarna.RNAalifoldApp
interface to RNAalifold - Secondary structure constraints can be given to
application.viennarna.RNAfoldApp
andapplication.viennarna.RNAalifoldApp
- Added
Changes
- The residues that are recognized by
structure.filter_amino_acids()
have changed (see above) - Deprecated
application.viennarna.RNAfoldApp.get_mfe()
and replaced it byapplication.viennarna.RNAfoldApp.get_free_energy()
Fixes
- Support PDB format dialect with inverted charge column (
X+
instead of+X
)
instructure.io.PDBFile
(#421) - Fixed erroneous atom parsing in
strutcure.io.mmtf.MMTFFile
, if an MMTF file
has multiple differentgroupType
entries for the same residue name and the same number of atoms (#426) - Fixed angle condition in
structure.base_stacking()
(#432) - Fixed
TypeError
indatabase.muscle.Muscle5App
- Fixed
bond_line_style
parameter instructure.graphics.plot_secondary_structure()
- Fixed error in
pseudoknots()
andbase_pairs_from_dot_bracket()
in cases the secondary structure had no base pairs - Update identification of error messages from server in
database.entrez.fetch()