Opened 7 years ago

Closed 7 years ago

#1409 closed defect (fixed)

Measure volume reports holes in molecular surfaces

Reported by: Elaine Meng Owned by: Tom Goddard
Priority: moderate Milestone:
Component: Surface Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

The measure volume command reveals that the surface geometry of molecular surfaces with sharp atom boundaries is messed up. Sometimes there are multiple boundaries, and sometimes the same edge is traversed twice in the same direction. Probably this latter case is related to making vertices unique.

open 2gpb
surf ligand
me volume #1.2

Enclosed volume for 2gbp_A SES surface (#1.2) = 61.81 with 17 surface holes

surf protein
me volume #1.3

Surface 2gbp_A SES surface (#1.3) has boundary edges traversed in opposing directions. Cannot determine volume.

Change History (1)

comment:1 by Tom Goddard, 7 years ago

Resolution: → fixed
Status: assigned → closed

Fixed.

Made measure volume use joined triangles for sharp-edge molecular surfaces.

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