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