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1.11.0
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mmtf
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2.9.3
2.9.2
2.9.1
2.9.0
2.8.0
2.7.0
2.6.1
2.6.0
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2.5.0
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2.4.0-rc
2.3.1
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27 results
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Created with Raphaël 2.2.0
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Aug
bugfix: avoid Eigen assertion in FindMembrane with cmake flag -DOPTIMIZE=0
lDDT: remove debug output
lDDT: add missing file
lDDT: add specialized lDDT flavours - Introducing: lDDT-BS
Python export for GetHashCode in ResidueHandle
lDDT: hide deprecated C++ lDDTScorer class
lDDT: docu updates
lDDT: Make compound_lib optional in lDDTScorer
lDDT: docu updates
lDDT: docu updates
lDDT: make matching residue names in model/target optional (on by default)
lDDT: code cleanups
lDDT: add flag to comput CA-lDDT
lDDT: code cleanup
refactor Oligo lDDT scoring - BEHAVIOUR CHANGES
lDDT: return number of expected and conserved global contacts if requested
bugfix: cast np.int64 to int
change local_contact_prop naming scheme
variable renaming
add exp and conserved contacts as int prop to scored model if requested
add function to extract number of contacts expected for a certain chain
lddt speedups through caching
fancify import in lddt unit test
add fast and flexible Python lDDT implementation
Bugfix: zero-division when atoms with equal vdw radii are on top of each other
Merge branch 'master' into develop
Merge branch 'release-2.3.1'
2.3.1
2.3.1
use ost 2.3.0 container as base image in Singularity recipe for 2.3.1
Merge branch 'release-2.3.1'
update CHANGELOG
2.3.1-rc
2.3.1-rc
Update version to 2.3.1
Revert installation instructions for macOS
remove unused var in Dockerfile
Extend macOS installationd escription to Monterey
Documentation - line length
New description on how to compile OST on MacOS
remove unnecessary include
resolve segfault in dng observed with Python 3.9
adapt mol.mm unit tests to OpenMM 7.7
simplify Dockerfile - remove MSMS
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