 David Sehnal
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6333c8073f
Add optional CifFile to MmcifFormat.data (#912)
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1 år sedan |
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Sebastian Bittrich
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faa750bbf9
allow entries with `chem_comp_atom` - fixes #877
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1 år sedan |
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Sebastian Bittrich
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da5965c956
meta
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1 år sedan |
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Sebastian Bittrich
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6e82405600
fix merge
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1 år sedan |
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Sebastian Bittrich
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a678893bdb
wip
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1 år sedan |
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Alexander Rose
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cb8731815c
changelog & param tweaks
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2 år sedan |
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Sebastian Bittrich
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a1662d76fb
parse CCD files
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2 år sedan |
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dsehnal
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509e6bc2d8
add TrajectoryFromMmCif.loadAllBlocks param
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2 år sedan |
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Alexander Rose
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8776143ec2
revert to mol-script in StructureSelectionFromScript
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2 år sedan |
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yakomaxa
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9b9cfe4138
rasmol -> pymol
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2 år sedan |
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yakomaxa
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03cce830bc
Rasmol parser WIP
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2 år sedan |
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yakomaxa
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0f799d44ad
Found a bug in withSameAtomProperties in filter.ts, where propSet and currentProps are placed inversely in isSuperSet()
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2 år sedan |
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yakomaxa
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60361c176b
Updated pick function in filter.ts. This enebles VMD keywords like backbone and many more.
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2 år sedan |
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yakomaxa
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e708a53ddb
atom-set.ts table.ts updates
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2 år sedan |
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yakomaxa
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9943e0317d
VMD jmol and rasmol parser updated
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2 år sedan |
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yakomaxa
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f937e069ca
Clearning by Lint
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2 år sedan |
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yakomaxa
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eabeb18f34
pymol
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2 år sedan |
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yakomaxa
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ea55fc5f41
debugging VMD mode
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2 år sedan |
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yakomaxa
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5ff2ca311e
structure-query.generator.query-in-selection was implemented: this enables NOT operation. In addition, tranpiler/helper.ts was fixed to use B.struct.generator.all() instead of B.struct.generator.atomGroups(). B.struct.generator.atomGroups() is not working for some reason, which was also met in the keyword 'all' in all of vmd/pymol/jmol parser.ts
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2 år sedan |
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yakomaxa
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bfc8660c5e
replaced structure. -> structure-query. in transpiler directory
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2 år sedan |
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yakomaxa
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dd30fef078
Added many properties and keywords for PyMOL and rasmol
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2 år sedan |
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yakomaxa
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d45367e840
Refining VMD parser and properties
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2 år sedan |
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yakomaxa
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fc0c556967
updated default value for Script and added mock-up for language-selector
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2 år sedan |
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yakomaxa
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30bd2dd876
Compiles but not boot
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2 år sedan |
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Alexander Rose
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b3b4692237
add top format support
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3 år sedan |
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Alexander Rose
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6fd9dcc72e
split structure formats into topology & coordinates
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3 år sedan |
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Alexander Rose
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28afb39550
make use of assertUnreachable
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3 år sedan |
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dsehnal
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31a555255a
bump immutable to 4.0
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3 år sedan |
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Alexander Rose
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58df6f3b85
formating
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3 år sedan |
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Alexander Rose
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908fff8041
lint: add prefer-const rule
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3 år sedan |
