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secondary structure changed after cmd.transform #413

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BHM-Bob opened this issue Dec 20, 2024 · 0 comments
Open

secondary structure changed after cmd.transform #413

BHM-Bob opened this issue Dec 20, 2024 · 0 comments

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@BHM-Bob
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BHM-Bob commented Dec 20, 2024

When using cmd.transform to alter the pose of a GPCR protein, the secondary structure (alpha helix) transitions from alpha helix to random coil consistently, despite a RMSD of zero between the two poses. This structure change persists even after applying cmd.dss and cmd.rebuild.

before

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after

image

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