PACKMAN v1.4.12

A very minor update to fix the predict_hinge.py output because scipy.stats changed the output format for 'mode'

What's Changed

• predict_hinge fix 1 by @Pranavkhade in #56

Full Changelog: 1.4.11...1.4.12

PACKMAN v1.4.11

What's Changed

• GitHub Actions: Let's turn ruff green again by @cclauss in #53
• documentation changes 1 by @Pranavkhade in #54
• Documentation overhaul, minor fixes and API improvements by @Pranavkhade in #55

Full Changelog: 1.4.10...1.4.11

PACKMAN v1.4.10

What's Changed

• rotation fix 1 by @Pranavkhade in #51

Full Changelog: 1.4.9...1.4.10

Minor fix for 1.4.9. Read the 1.4.9 description.

PACKMAN v1.4.9

What's Changed

• rotation component fixed by @Pranavkhade in #49

Full Changelog: 1.4.8...1.4.9

• The branch name for the commits was misleading. We ended up writing code where we check neighbour1 (argument) is present in component 1 or 2 and rotate the component that it is in thereby keeping $\vec{e_a}$ intact.

PACKMAN v1.4.8

What's Changed

• GitHub Actions: Replace nose with pytest by @cclauss in #39
• ruff --select=E711,E712 --fix . by @cclauss in #43
• Update geometry.py by @Pranavkhade in #46

New Contributors

• @cclauss made their first contribution in #39

Full Changelog: 1.4.7...1.4.8

PACKMAN v1.4.7

What's Changed

• get_sequence added. by @Pranavkhade in #37

Full Changelog: 1.4.6...1.4.7

PACKMAN v1.4.6

What's Changed

• Auth id fix by @Pranavkhade in #36

Full Changelog: 1.4.5...1.4.6

PACKMAN v1.4.5

• GNM added.
• Bugfix for .hng file (spaces are replaced by + in the .hng file)
• Bigfix for packman.utilities.load_hinge()
• 'Molecule' module image was added from the paper (under creative commons license)
• DCI publication and server links were added everywhere. (server page update is remaining) @Ambuj-UF

What's Changed

• GNM by @Pranavkhade in #32

Full Changelog: 1.4.4...1.4.5

PACKMAN v1.4.4

• C-Alpha to all-atom projection added for linear and curvilinear paths in API, CLI and GUI (ask ResearchIT to change server too)
• GUI improvements
• Minor fixes

PACKMAN v1.4.3

• PDB to mmCIF conversion in hdANM is fixed. (However, lot of effort is needed to convert the annotations completely)