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[ccp4bb]: LSQMAN- Comparing waters!
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Hi Everyone,
I am trying to use LSQMAN to compare water molecules between two of my
structures.
Here's how the *.pdb files read-
----------
ATOM 12446 O WAT S2320 55.807 24.270 -71.680 1.00 36.11 S
----------
Here's the error message I get following the EXplicit command-
LSQMAN > ex m1 a1-889 m2 a1-3130
Explicit fit of M1 A1-889
And M2 A1-3130
Atom types | CA | N | C | O | CB |
B-factor range used: -1000.00 - 10000.00 A2
ERROR --- Zone ignored in range2 : A1-3130
Nr of atoms to match : ( 0)
Nr skipped (B limits) : ( 0)
ERROR --- Less than three atoms; cannot match
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What am I doing wrong ? Any suggestions ?
Thanks very much.
Raji
Rajeswari Edayathumangalam
Dept. of Biochemistry & Molecular Biology
Colorado State University
Fort Collins, CO 80523 USA