User:Wayne Decatur/Generate Unfolded Structures: Difference between revisions
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This describes how to unfold whole or parts of chains in solved structures using Pymol. | This describes how to unfold whole or parts of chains in solved structures using Pymol. This maintains the covalent bonds. | ||
This came up because [https://people.chem.umass.edu/cbobst/Members.html Adriana Zeledon] wanted to generate structures derived from her structure of interest where parts were unfolded or folded differently. I thought this could very useful for illustrative or conceptualizing purposes for many users. For maybe simulating denaturing, conformational changes, or other dynamic processes. | This came up because [https://people.chem.umass.edu/cbobst/Members.html Adriana Zeledon] wanted to generate structures derived from her structure of interest where parts were unfolded or folded differently. I thought this could very useful for illustrative or conceptualizing purposes for many users. For maybe simulating denaturing, conformational changes, or other dynamic processes. | ||
Please note that while | Please note that while maintaining covalent bonds, this process will generate a distorted structure that is just for representational purposes and is not thermodynamically stable. To translate or rotate a chain or parts relative the rest of the structure see [[User:Wayne Decatur/Moving Components or Parts of Structures| my page on moving parts or components of structures using Pymol]]. | ||
Add information on breaking disulfides first and reforming others. | Add information on breaking disulfides first and reforming others. | ||