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Revisions №58464

branch: master 「№58464」
Commited by: Vikram K. Mulligan
GitHub commit link: 「0f337566b202da1c」 「№1102」
Difference from previous tested commit:  code diff
Commit date: 2016-02-17 06:31:33

Merge pull request #1102 from RosettaCommons/vmullig/fix_helix_fit Fixing issues with fit_helixparams app. Some code in the numeric libraries for superimposing structures and calculating RMSDs is throwing off my fit_helixparams app. A small value (1.0e-7) is currently added to certain numbers to avoid a zero determinant in edge cases. This small value is resulting in a skew to the transformation matrices in some cases, and it turns out that it's because it's TOO small. I won't take it out, but I'll add a pass-through to let a specific protocol override it with a larger value. Initial tests indicate that this greatly improves the behaviour of the fit_helixparams app. @hssnzdh2 @everyday847 Tasks: - Modify the rmsfitca2() function in numeric/model_quality/rms.cc/hh to take a double-precision float for the offset value. (Defaults to 1.0e-7 -- preserve the old behaviour). - Modify calling functions similarly. - Modify the fit_helixparams app to pass "1.0e-5" to rmsfitca2(). - Add option for user to set the offset value to pass to rmsfitca2(). - Beauty.

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