Opened 9 years ago
Closed 9 years ago
#421 closed defect (worksforme)
align not producing same result as Chimera 1
| Reported by: | Eric Pettersen | Owned by: | Tom Goddard |
|---|---|---|---|
| Priority: | blocker | Milestone: | |
| Component: | Structure Comparison | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
If you open 1b17 and 1ben (in that order) and then use this command:
[X]: mm #2/c to #1/a pair ss iter false
[1]: mm #0:.a #1:.c pair ss iter false
then ChimeraX produces a different RMSD than Chimera1 (X: 0.997; 1: 0.988) and the transforms differ:
X...
[[ 0.35290881 -0.92383834 -0.14825009 34.04070549]
[ 0.58233724 0.09285298 0.80762718 38.77041338]
[ -0.73235149 -0.3713503 0.57075411 22.1593799 ]]
1...
0.354798 -0.923616 -0.145094 34.0503
0.58081 0.0961279 0.808343 38.7099
-0.732651 -0.371071 0.570552 22.1571
The input atomic coordinates are identical (to at least the 5th decimal).
Eric reports that the problem is that the mmcif and pdb format coordinates are different in ChimeraX and using PDB format files in ChimeraX and Chimera 1 gives the same match maker result.