 yakomaxa
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e516ea146d
Update for atomCount and countQuery in table.ts
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2 years ago |
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yakomaxa
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7a0af4142f
Now PyMOL within operator works. The key was to replace xs['max-radius'] -> xs['max-radius'](ctx) in table.ts
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2 years ago |
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yakomaxa
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1aa8d596a3
Updates for queryInSelection in src/mol-script/runtime/query/table.ts was reverted (made bug)
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2 years ago |
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yakomaxa
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a457810623
queryInSelection in src/mol-script/runtime/query/table.ts was updated
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2 years ago |
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yakomaxa
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f937e069ca
Clearning by Lint
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2 years ago |
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yakomaxa
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c9326da47b
Implemented subset of atomSet: atomCount, queryCount and propertySet, which enables some of PyMOL operators. Implementation should be reviewed as byring is not working, and inorganic working incorrectly
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2 years ago |
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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 years ago |
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yakomaxa
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82ccb1ab23
structure-query.modifier.intersectBy was implemented: this enables AND operation
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2 years ago |
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Alexander Rose
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908fff8041
lint: add prefer-const rule
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3 years ago |
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dsehnal
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73f6793bd8
surroundingLigands query wip
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4 years ago |
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dsehnal
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82dd0496c2
covalentlyBondedComponent query
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4 years ago |
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Alexander Rose
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bb7d3e075c
change comp_id to be atom property to support micro heterogeneity
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4 years ago |
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Alexander Rose
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2142290300
add prd_id as entity property, treat prd as ligand
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5 years ago |
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Alexander Rose
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0b1c18913d
added MolScript.core.list.equal and MolScript.structureQuery.atomProperty.macromolecular.entityDescription
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5 years ago |
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David Sehnal
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fb0634a0f4
added semicolons to linting rules
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5 years ago |
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Alexander Rose
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60ee04b9b9
linting improvements
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5 years ago |
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David Sehnal
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7dd6efafb2
fixed some cyclical references & drawcall in mol-canvas3d
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5 years ago |
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Alexander Rose
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ec45f6c0ee
removed 'modified residues'
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5 years ago |
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Alexander Rose
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1cee84d9af
fix formating
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5 years ago |
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Alexander Rose
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b863aaedb3
general support for aromatic rings
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5 years ago |
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Alexander Rose
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b77994d01f
improved bond handling
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5 years ago |
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Alexander Rose
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48a75927f6
renamed 'link' to 'bond' as appropriate
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5 years ago |
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Alexander Rose
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f2740aaee2
secondary structure query/selection improvements
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5 years ago |
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Alexander Rose
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cd23a68268
moved toUpperCase to string.ts
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5 years ago |
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David Sehnal
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f0ecf74aad
mol-script: bind rings generator
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5 years ago |
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David Sehnal
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14c22147d5
mol-script: added linkedAtomicPairs generator + fixed assembly-symmetry-axes isApplicable for empty structures
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5 years ago |
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David Sehnal
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6d39bc4a20
mol-script: added more link props, support different element reference for atomic props
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5 years ago |
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Alexander Rose
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f975d9c8dc
add names anon molql functions for debugging/profiling
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5 years ago |
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Alexander Rose
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563ff98c83
fix MolScript.internal.generator.bundle binding
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5 years ago |
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Alexander Rose
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4cc0754f11
add isNonStandard atom prop, use polymer repr preset
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5 years ago |
