 David Sehnal
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92412f21ce
wip refactoring mol-state
|
il y a 6 ans |
|
David Sehnal
|
5cf0b1c08c
wip mol-state refactoring
|
il y a 6 ans |
|
Sebastian Bittrich
|
c2af2cdb03
removes random OS file from project
|
il y a 6 ans |
|
Sebastian Bittrich
|
05a4321d33
unbiased VDW radius assignment for non-polymer atoms
|
il y a 6 ans |
|
Sebastian Bittrich
|
fb60cb589d
stub to consider non-polymer groups for computation
|
il y a 6 ans |
|
Sebastian Bittrich
|
91fff322ac
support for nucleotides
|
il y a 6 ans |
|
Sebastian Bittrich
|
472ee474ed
respect for BioJava
|
il y a 6 ans |
|
Sebastian Bittrich
|
94155295a1
actually initializes arrays, a strict requirement to get results
|
il y a 6 ans |
|
Sebastian Bittrich
|
3937e8b070
makes params optional
|
il y a 6 ans |
|
Sebastian Bittrich
|
5cc1d65032
adds stub for buried state flag
|
il y a 6 ans |
|
Sebastian Bittrich
|
380fd092f9
establishes PD handling of parameters
|
il y a 6 ans |
|
Sebastian Bittrich
|
a1ed3f71a8
PD now used to handle algorithm parameters
|
il y a 6 ans |
|
Sebastian Bittrich
|
fb81579907
removes unused import
|
il y a 6 ans |
|
Sebastian Bittrich
|
a1aee20d6d
introduces Float32Array, rolling assignment
|
il y a 6 ans |
|
Sebastian Bittrich
|
bea4d12b47
stub for param integration
|
il y a 6 ans |
|
Sebastian Bittrich
|
a2da764855
omits multiple entrypoints
|
il y a 6 ans |
|
Sebastian Bittrich
|
09db0abadb
adds turns and bends as dedicated secondary structure elements
|
il y a 6 ans |
|
Sebastian Bittrich
|
2bb40d91c2
indention and code order
|
il y a 6 ans |
|
Sebastian Bittrich
|
a77d98150c
removes minCaDist criterion
|
il y a 6 ans |
|
Sebastian Bittrich
|
635ed60b43
changes max hbond detection distance to 9 A
|
il y a 6 ans |
|
Sebastian Bittrich
|
51f08be894
cleanup
|
il y a 6 ans |
|
Alexander Rose
|
f7238c9a32
better handling of render program changes
|
il y a 6 ans |
|
Alexander Rose
|
a2fc629533
cleanup
|
il y a 6 ans |
|
Alexander Rose
|
b0ab77ee7f
fix, render variant change needs to trigger and material change
|
il y a 6 ans |
|
Alexander Rose
|
cb1ab8b677
fix raw-loader imports
|
il y a 6 ans |
|
Sebastian Bittrich
|
c10d9db311
moves dihedral calc to Vec3, decreases allocation inside function
|
il y a 6 ans |
|
Sebastian Bittrich
|
0c3d4b4ce1
removes safety net to avoid dying for 3j3q
|
il y a 6 ans |
|
Alexander Rose
|
2e4cf1ec3d
package updates
|
il y a 6 ans |
|
Sebastian Bittrich
|
cf993ab0cd
better add files to commit
|
il y a 6 ans |
|
Alexander Rose
|
ab03b84d99
removed ply-wrapper wip
|
il y a 6 ans |
