Opened 9 years ago

Closed 9 years ago

Last modified 9 years ago

#583 closed defect (fixed)

Morph atoms don't move if alt locs are present

Reported by: Tom Goddard Owned by: Tom Goddard
Priority: major Milestone:
Component: Structure Comparison Version:
Keywords: Cc: pett@…
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

open 2fw0
open 2hph
mm #2 to #1
morph #1,​2
show #3
coordset #3 1,21

Shows atoms that do not move in morph with enormously long bonds. These atoms have alt locs. Coordinate sets cannot have altlocs according to Eric.

Morph command probably needs to remove alt locs from the trajectory.

Change History (5)

comment:1 by Eric Pettersen, 9 years ago

Resolution: fixed
Status: assignedclosed

Fixed; implemented a 'dealtloc' structure method that morph calls after copying the starting structure

in reply to:  2 ; comment:2 by goddard@…, 9 years ago

dealtloc is a pretty cryptic name.  Maybe it could be changed to the more self-explanatory delete_altlocs?

in reply to:  3 ; comment:3 by Eric Pettersen, 9 years ago

I thought about it for awhile before calling it "dealtloc".  To me, delete_altlocs sounds too much like the atoms with altlocs are being deleted entirely.  It's a rarely used function anyway so the name probably doesn't have to be perfect.

Sent from my iPad


in reply to:  4 ; comment:4 by goddard@…, 9 years ago

I think the interpretation of delete_altlocs as deleting alternative locations and not the atom itself is what the name suggests.  It makes no sense to selectively delete atoms that have altlocs, so I can’t imagine anyone trying to use it to do that.  And the name is much clearer than dealtloc (which I at first parsed as “deal”  or “dealt” rather than “de-".  But it is of course your call.

comment:5 by Eric Pettersen, 9 years ago

Okay, changed name to delete_alt_locs.

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