modules/mol/alg/pymod/structure_analysis.py · 7cdd43909b35bcf6b529d04e59a6e354d66738e4 · schwede / openstructure

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11 years ago

Modified the Vec3List::FitCylinder function to also return the radius · 7cdd4390

Niklaus Johner authored 11 years ago

of the fitted cylinder. The input was also changed from taking both a direction
and center as initial guess to just the direction. The center is guessed from
the geometrical center of the atoms and fitted during the optimization
procedure.

7cdd4390

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Modified the Vec3List::FitCylinder function to also return the radius

Niklaus Johner authored 11 years ago

of the fitted cylinder. The input was also changed from taking both a direction
and center as initial guess to just the direction. The center is guessed from
the geometrical center of the atoms and fitted during the optimization
procedure.