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Fragment-based:
BMRB CS-Rosetta
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Template-based:
GeNMR
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Refinement:
Amber
Structure from chemical shifts:
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WeNMR CS-Rosetta
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CS23D
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Torsion angles from chemical shifts:
Preditor
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Secondary structure from chemical shifts:
CSI (via RCI server)
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MICS caps, β-turns
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PECAN
Flexibility from chemical shifts:
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Interactions from chemical shifts:
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Chemical shifts re-referencing:
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NMR model quality:
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RPF scores
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RDCs:
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Pseudocontact shifts:
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NMR spectrum prediction:
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Molecular dynamics:
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Chemical shifts prediction:
From structure:
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ShiftS
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PPM
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From sequence:
Shifty
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Disordered proteins:
MAXOCC
Format conversion & validation:
CCPN
From NMR-STAR 3.1
Validate NMR-STAR 3.1
NMR sample preparation:
Protein disorder:
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Protein solubility:
camLILA
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Isotope labeling:
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Solid-state NMR:
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Old 07-20-2012, 11:13 PM
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Default Simple autoFit/nlinLS question

Simple autoFit/nlinLS question

Does nlinLS use the MEMCNT number in any meaningful way? For instance, if you update the clusterIDs (add or remove peaks) but don't change the number of peaks

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