[Chimera-users] single-component calculation

Bala subramanian bala.biophysics at gmail.com
Tue Dec 15 22:00:08 PST 2009


Friends,
When i try to show the surface sometimes, i get a chimera warning that '
calculation of some surface components failed, falling back to single
component calculation'.
The message in reply log is as follows. Kindly enlighten me on what is
causing the problem.

Calculation of some surface components failed.
Falling back to single-component calculation.
/home/cbala/chimera/bin/mscalc 1.400000 2.000000 0
MSMSLIB 1.3 started on RAMANA
Copyright M.F. Sanner (March 2000)
Compilation flags
WARNING: check_SES_edge: weird case, 1 probe full1 and not full2
WARNING: class_arete2: warning hole in a reentrant face 2119
WARNING: classe_aretes2: No cycle in face 3781 (nba=-6)

WARNING: classe_aretes2: No cycle in face 11830 (nba=-4)

WARNING: classe_aretes2: No cycle in face 19652 (nba=4)

WARNING: classe_aretes2: No cycle in face 19653 (nba=-1)

WARNING: classe_aretes2: No cycle in face 19663 (nba=-3)

RESTART FROM SES: 1
radius of atom 1220 goes from 1.625000 to 1.725000
radius of atom 1221 goes from 1.000000 to 1.100000
radius of atom 1665 goes from 1.700000 to 1.800000
radius of atom 1666 goes from 1.000000 to 1.100000
radius of atom 3490 goes from 1.500000 to 1.600000
radius of atom 3618 goes from 1.000000 to 1.100000
radius of atom 3620 goes from 1.500000 to 1.600000
radius of atom 3621 goes from 1.000000 to 1.100000
radius of atom 5103 goes from 1.625000 to 1.725000
radius of atom 5106 goes from 1.000000 to 1.100000
Partial mode
WARNING: class_arete2: warning hole in a reentrant face 2119
RESTART FROM TRI: 2
radius of atom 470 goes from 1.700000 to 1.800000
radius of atom 4231 goes from 1.700000 to 1.800000
radius of atom 4250 goes from 1.480000 to 1.580000
Partial mode

Surface black.pdb, category main, probe radius 1.4, vertex density 2
  1 connected surface components
  Total solvent excluded surface area = 16352.1
  Total solvent accessible surface area = 17959.3
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