 Alexander Rose
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8723ca38b4
improve saccharide detection
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3 years ago |
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Alexander Rose
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ce1bec12b4
fix mononucleotides detected as polymer components
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3 years ago |
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Alexander Rose
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3b1513adc0
fix eslint warnings
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3 years ago |
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Alexander Rose
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24677d6931
lint: add space-before-function-paren rule
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3 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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Alexander Rose
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baa64d8109
handle mononucleotides when guessing component type
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3 years ago |
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Alexander Rose
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5d683462fb
add common non-standard amino-acids
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4 years ago |
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Alexander Rose
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376449f7c8
add missing PRO to standard components
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4 years ago |
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Alexander Rose
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272e208fd4
add ion & lipid as chem_comp type, charmm ion names
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4 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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a84309b800
add mon_nstd_flag when deriving chemComp
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5 years ago |
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Alexander Rose
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1293848d9b
refactored ModelFormat
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5 years ago |
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Alexander Rose
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e57a19857f
improved pdb reader, entity
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5 years ago |
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Alexander Rose
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c285e30ee0
improved gro format reading
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5 years ago |
