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Missing internal cavity #319

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wlincong opened this issue Nov 3, 2023 · 0 comments
Open

Missing internal cavity #319

wlincong opened this issue Nov 3, 2023 · 0 comments

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@wlincong
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wlincong commented Nov 3, 2023

Hi,
In Display, I set Maximum Quality, In Setting: Surface/Cavities and Pockets Only, Surface/Surface Detection Radius, 1 Solvent Radius for the attached protein structure. I could not observe any internal cavity surrounded by W51, F71, R74 of Chain A (colored in cyan). However, it is a somewhat large cavity by sesExact (https://github.com/wlincong/SESexact). The lack of such an internal cavity is due to my selections of the parameters in Setting? i.e. Could you show such a cavity via a different set of parameters? I attached the PDB file (7V6TFH.txt since github does not accept .pdb file) and two figures, one by sesExact (where the surrounding atoms from the three residues are depicted as sphere with reduced radii) and the other by pymol (where the three residues shown in stick).

W51F71R74_no_Cavity_pymol
7V6TFH_cavit_W51F71R74
7V6TFH.txt

Thanks!
Lincong

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