Dear PyMOL users,
I'm wondering if anyone knows how exactly a selection is defined if you
utilize both the "bymol" and "within" commands together. For instance,
consider the following two selections:
1. "select closewats, wats within 3 of solute"
2. "select closewats, bymol (wats within 3 of solu
Andrew,
The 'byres' selector expands the inner selection to include all covalently
bonded atoms. Thus, your selection #2 should be a superset of selection #1.
Are you sure that's not the case?
What do your 'wats' and 'solute' selections refer to? Are you trying to
find the water molecules to some
Andrew,
Can you provide an example? In my tests the bymol and within operators work
as expected.
fetch 4FC1 #high-res neutron scattering structure with water hydrogens
select solvent w. 3 of resi 7
stored.i=0; cmd.iterate("sele", "stored.i+=1"); print stored.i #7 atoms
select bymol solvent w. 3 o
Hi,
By accident(!) I upgraded my Mac OS to El Captain. The problem is now I cannot
open my MacPymol that was fine up to previous or lion.
I downloaded XQuartz but still somehow doensn't open my old MacPymol. Has some
one experienced or solved this problem?
Thanks in advance.
Young-Jin
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