 Alexander Rose
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176f80ea9b
ensure trace element for polymer residues
|
vor 3 Jahren |
|
Alexander Rose
|
c4708f0260
add derived atomicNumber
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vor 4 Jahren |
|
Alexander Rose
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bb7d3e075c
change comp_id to be atom property to support micro heterogeneity
|
vor 5 Jahren |
|
David Sehnal
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fb0634a0f4
added semicolons to linting rules
|
vor 5 Jahren |
|
Alexander Rose
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41bc74e543
add support for Beta and Gamma peptides
|
vor 5 Jahren |
|
Alexander Rose
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defbadf4d7
handle polymer ends in visuals properly
|
vor 5 Jahren |
|
Alexander Rose
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c285e30ee0
improved gro format reading
|
vor 5 Jahren |
|
Alexander Rose
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f9d8942814
basic support for missing residues
|
vor 6 Jahren |
|
Alexander Rose
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14cf7cc101
direction from/to derived residue prop
|
vor 6 Jahren |
|
Alexander Rose
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2c55165c84
use relative paths for module imports
|
vor 6 Jahren |
|
Alexander Rose
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7ef36dbe48
better support for polymers with a coarse backbone, improved MoleculeTypeAtomRoleIds
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vor 6 Jahren |
|
Alexander Rose
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733df07e0e
fixed cartoon visual for C-alpha only models
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vor 6 Jahren |
|
Alexander Rose
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4a99bf4146
wip, dssp assignment
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vor 6 Jahren |
|
Alexander Rose
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d9b566a58c
chemComp refactoring
|
vor 6 Jahren |
|
Alexander Rose
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b674b102a5
wip, moleculeType and chemCompMap usage
|
vor 6 Jahren |
|
Alexander Rose
|
a500e55c38
added some precalculated deried properties
|
vor 6 Jahren |
