***  TOXIN 21-DEC-24 9HUB  ***
Output from eigenvector calculation:
STDOUT:
CUTOFF set to default value (CUTOFF=8)
Build Tirion matrix:
Pdbmat> Computes the Hessian matrix, using an Elastic Network Model.
Pdbmat> Version 3.50, Fevrier 2004.
Pdbmat> Options to be read in pdbmat.dat file.
Pdbmat> Coordinate filename = 2603241806131489201.atom
Pdbmat> Distance cutoff = 8.00
Force constant = 10.00
Origin of mass values = CONS
Pdbmat> Levelshift = 1.0E-09
PRINTing level = 2
Pdbmat> Coordinate file 2603241806131489201.atom to be opened.
Openam> File opened: 2603241806131489201.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 652
First residue number = 145
Last residue number = 133
Number of atoms found = 9922
Mean number per residue = 15.2
Pdbmat> Coordinate statistics:
= -19.424305 +/- 22.678556 From: -68.672000 To: 30.193000
= -46.136654 +/- 10.563875 From: -69.954000 To: -20.922000
= 24.706860 +/- 15.077295 From: -7.887000 To: 58.590000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
%Pdbmat-Er> Too small distance = 0.000 between following atoms.
166: SER 155 H and 167: SER 155 H
%Pdbmat-Er> Too small distance = 0.000 between following atoms.
*** pdbmat failed for the reason given above ****
*** please check your input file and parameters ****
*** (are there two atoms at the same position? ****
*** e.g. alternative conformations ) ****
STDERR:
STOP *Wrong coordinates*
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elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: december 26th, 2025.
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