schrodinger / pymol-open-source

Open-source foundation of the user-sponsored PyMOL molecular visualization system.
https://pymol.org/
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Missing internal cavity #319

Open wlincong opened 11 months ago

wlincong commented 11 months ago

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