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Name: |
MicroIdealize 5.0 |
ID: |
104251 |
Created on: |
Sun, 12/27/2020 - 19:59 |
Updated on: |
Mon, 12/28/2020 - 03:59 |
Description: |
See first comment |
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Algorithm outline
For each section (default length 3) in the selected range (default = whole protein trimming off locked segments)
Isolate that section with cut points (prevents the structure from blowing apart)
Idealize the section
Close cutpoints
Wiggle
Changes:
1) Trimmed off locked segments in initial residue settings.
2) Tidied up code and added a couple of options: use IdealizeSS instead of Idealize which changes a different set of torsion values.
3) Allow use of Local Wiggle rather than Wiggle All: if set then the final wiggle after closing the cut will be a local wiggle defined by the section values +/- the value of Local Wiggle Spacer. Useful as an alternative to Quickfix for fast fixing of bad Idealities.