 David Sehnal
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9890d4807a
more accurate time management for Computation.Chunker
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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9a3b83d136
More atom set refactoring
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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277c83fbe4
Structure units is now just an array
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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1f07aee54f
Refactor Structure to use IntMap for units
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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60d02b1f6a
Refactoring AtomSet (part 2)
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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ecbe3d2ef0
Refactoring AtomSet to use IntMap (step 1 of ?)
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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d597f1e88c
Higher tolerance for "symmetry operators"
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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75956de8cc
assembly generation working
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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c6c2994267
assembly parsing from mmCIF
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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d8437a78ef
SymmetryOperator in mol-math
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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6b57151de6
CIF tensor fields should now be working
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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4efaf1c28b
Module refactoring
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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4f70aa55f2
nicer CIF encoder API
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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4627b9ada5
BinaryCIF decoding tweaks
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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4d2c7996da
CIF data model no longer includes '_' at start of category names
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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bbb3479511
cif2bcif
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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41135331a9
better el symb cache
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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9416a8874a
CIF export tweak
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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df6cc84e0a
basic mmCIF export
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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039b0719d5
Positions
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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0393a7e9b6
Tweaks
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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f0e82d09e6
predicates
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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bd2012852c
sturcuture factoring, queries
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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a5405a509f
Renamed to mol*
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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ea7b1ba9fa
segmentation tweaks
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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a40ab46356
name tweak
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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fafe1b1841
refactoring, bug fixes and working on queries
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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07debb8cd3
Database abstraction
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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dbf67afdce
Fixed module resolution (no more ../../../../../)
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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801e1ef035
more refactoring
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%!s(int64=7) %!d(string=hai) anos |
