[Feature-users] Prbblems with FEATURE 3.0

Ryan McLaughlin mclaughlinr2 at gmail.com
Wed Jan 4 15:02:17 PST 2012


Hello SIMTK team,
I am trying to use the FEATURE 3.0 and having some issues.
Here is what I type and the output I get:

#############################################################################
input: atomselector.py -r ser -a og 1bqy > 1bqy_ser_og.ptf
output:[none]

input: featurize -P 1bqy_ser_og.ptf > 1bqy_ser_og.ff
output:
FEATURE_DIR: /home/rmclaughlin/FEATURE-3.0/feature
verbosity: 0
numShells: 6
shellWidth: 1.25
excludeResidues: 1 [ HETATM  ]
pdbids: 1 [ 1bqy  ]

input: scoreit -a TRYPSIN_SER_6_SER_OG.model 1bqy_ser_og.ff >
1bqy_ser_og.hits
output: Fatal Error: Metadata: The metadata keyword 'NUM_PROPERTIES' is not
enabled for this file type 'TRYPSIN_SER_6_SER_OG.model'.
#############################################################################

The problem seems to be when I run the "scoreit" function.
I'm not sure exactly what this error means or how I might remedy it.
Is there any direction you can give me?  My lab made great use of your 1.9
version of FEATURE and would really like to use the 3.0 version.
Any help you can give would be most appreciated.  Thank you for your time!

Cheers,
Ryan

Ryan McLaughlin
Research Tech
The Commonwealth Medical College
814.758.4570
mclaughlinr2 at gmail.com
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