[Chimera-users] minimization error

[divya neelagiri]

Hello,

I got this error when I was trying to minimize a structure. please tell me
what went wrong.


Executing testchim.py...Opening test1_chimera.mol2...1 model opened

Traceback (most recent call last):
  File "/data/pgm/chimera/chimera_1.2422/share/__main__.py", line 59, in ?
    value = chimeraInit.init(sys.argv)
  File "CHIMERA/share/chimeraInit.py", line 298, in init
    chimera.openModels.open(a, prefixableType=1)
  File "CHIMERA/share/chimera/__init__.py", line 1253, in open
  File "CHIMERA/share/chimera/__init__.py", line 746, in _openPython
  File "testchim.py", line 10, in ?
    rc("minimize nsteps 70000 stepsize 0.001 interval 100 freeze none nogui
true")
  File "CHIMERA/share/chimera/__init__.py", line 1912, in runCommand
  File "CHIMERA/share/Midas/midas_text.py", line 60, in makeCommand
  File "CHIMERA/share/MMMD/ChimeraExtension.py", line 29, in cmdMMMD
  File "CHIMERA/share/Midas/midas_text.py", line 281, in doExtensionFunc
  File "CHIMERA/share/Midas/midas_text.py", line 1885, in _getRealKw
MidasError: Keyword 'nsteps' doesn't match any known keywords
Error while processing testchim.py:
MidasError: Keyword 'nsteps' doesn't match any known keywords
(see reply log for Python traceback info)




This is my program. I tried to execute it from command line using
chimera --nogui testchim.py

import os
import chimera

from chimera import runCommand as rc
from chimera import replyobj

os.chdir("/data2/di/database_build/outputs/outputs_mol2_sdf")
fn = "test1_chimera.mol2"
rc("open " + fn)
rc("minimize nsteps 70000 stepsize 0.001 interval 100 freeze none nogui
true")
rc("write format mol2 0 min/" + fn)
rc("close all")
rc("stop now")
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