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Exclude restraints with only fixed atoms
multi platform test
#99:
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Fix mapmaker interface
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#98:
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support for 'both' chiral volume
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output of minimiser
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Revive range
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More changes to restraints
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#94:
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distortion calculation
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#93:
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Fix minimiser for protein sequences, ouch
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modernise c++
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Fix version string
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#90:
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Merge branch 'develop' of github.com:PDB-REDO/libpdb-redo into develop
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#89:
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Merge branch 'develop' of github.com:pdb-redo/libpdb-redo into develop
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3.6 was not a good idea
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#87:
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old compiler on github actions
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#86:
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install libcifpp in github action
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Version bump and clean up
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Version bump and clean up
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#83:
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Fix potential unordered_map::at exception
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#82:
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moved spherical dots to libpdb-redo
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#81:
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Fix inertia tensor calculation
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#80:
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Avoid writing outside memory...
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#79:
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Work around for older compilers
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#78:
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Remove glm
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#77:
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Fit shape, added using intertia tensors
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#76:
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More use of smallest_sphere
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