[Chimera-users] Error from running headless Chimera
Zhe Wang
anchorwz at googlemail.com
Wed Aug 1 03:57:20 PDT 2018
Hi,
I am trying to using headless Chimera on RedHat linux server 7.3 to produce
some images.
But I end up with a segmentation fault. Does anyone have an idea how it
comes to this?
The headless chimera is from https://www.cgl.ucsf.edu/chimera/download.html
(64-bit daily build).
The test code was taken without changes from
https://www.cgl.ucsf.edu/chimera/docs/ProgrammersGuide/basicPrimer.html.
Any ideas will be appreciated.
Best,
Zhe
PS: OSMesa 11.2.2 has been installed.
Executing chimera_surface.py...
Processing 6c7m.pdb
Opening 6c7m.pdb...
#0, chain A: kemp eliminase KE07
6c7m.pdb opened
Center of rotation: 0.867528 -1.77985 11.157
/software/chimera_headless/bin/mscalc 1.400000 2.000000 1
MSMSLIB 1.3 started on ebi-cli-002.ebi.ac.uk
Copyright M.F. Sanner (March 2000)
Compilation flags
Surface 6c7m.pdb, category main, probe radius 1.4, vertex density 2
12 connected surface components
Total solvent excluded surface area = 10612
component areas = 10035.4, 126.971, 97.9893, 90.9594, 38.157, 36.4953,
34.1487, 33.7557, 32.681, 30.3253, 29.9037, 25.222
Total solvent accessible surface area = 11324.6
component areas = 11265.5, 25.8506, 19.8737, 10.3135, 0.685134,
0.778238, 0.522429, 0.365982, 0.314644, 0.177358, 0.178001, 0.00214196
Surface 6c7m.pdb, category main has 12 components
/software/chimera_headless/bin/mscalc 1.400000 10.000000 1
MSMSLIB 1.3 started on ebi-cli-002.ebi.ac.uk
Copyright M.F. Sanner (March 2000)
Compilation flags
RESTART FROM TRI: 1
radius of atom 5 goes from 1.880000 to 1.980000
radius of atom 6 goes from 1.880000 to 1.980000
radius of atom 1569 goes from 1.420000 to 1.520000
Partial mode
/software/chimera_headless/bin/mscalc 1.400000 10.000000 0
MSMSLIB 1.3 started on ebi-cli-002.ebi.ac.uk
Copyright M.F. Sanner (March 2000)
Compilation flags
RESTART FROM TRI: 1
radius of atom 5 goes from 1.880000 to 1.980000
radius of atom 6 goes from 1.880000 to 1.980000
radius of atom 1569 goes from 1.420000 to 1.520000
Partial mode
Calculation of some surface components failed.
A single component of the surface was calculated correctly - the failure
occurred for disconnected additional components such as inside bubbles. If
the desired surface is already shown, there is no need for concern. However,
if it is not shown, see below for possible fixes.
Surface calculation frequently fails for large, multi-chain structures. The
calculation may be successful if the chains are treated individually, by
using the "split" command before generating a surface. If splitting is not
desired or the structure is already a single chain, changing molecular
surface parameters in the Selection Inspector or (before surface creation)
the New Surfaces category of Preferences may allow the calculation to
succeed. More details are given at
http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/surfprobs.html
Surface 6c7m.pdb, category main, probe radius 1.4, vertex density 10
1 connected surface components
Total solvent excluded surface area = 10036.7
Total solvent accessible surface area = 11266.5
Surface 6c7m.pdb, category main has 1 components
Rendering high resolution image...
Segmentation fault
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