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File Descriptions

 

[filename].min

PDB file of minimum energy structure


COMPND     New Minimum Trial 1 Cycle 154 Energy -5.93433
ATOM      1  CA  ACE     0       0.000   0.000   0.000  1.00  0.00
ATOM      2  C   ACE     0       1.520   0.000   0.000  1.00  0.00
ATOM      3  O   ACE     0       2.144   1.060   0.000  1.00  0.00
ATOM      4  N   ALA     1       2.107  -1.193   0.000  1.00  0.00
ATOM      5  CA  ALA     1       3.557  -1.332   0.066  1.00  0.00
ATOM      6  C   ALA     1       4.025  -2.344  -0.974  1.00  0.00
ATOM      7  O   ALA     1       3.501  -3.456  -1.053  1.00  0.00
ATOM      8  CB  ALA     1       3.984  -1.767   1.460  1.00  0.00
ATOM      9  H   ALA     1       1.540  -2.013  -0.000  1.00  0.00
ATOM     10  HA  ALA     1       4.030  -0.389  -0.163  1.00  0.00
ATOM     11  N   ALA     2       5.013  -1.952  -1.770  1.00  0.00
ATOM     12  CA  ALA     2       5.572  -2.833  -2.790  1.00  0.00
ATOM     13  C   ALA     2       5.874  -4.213  -2.216  1.00  0.00
ATOM     14  O   ALA     2       5.350  -5.222  -2.691  1.00  0.00
ATOM     15  CB  ALA     2       6.840  -2.229  -3.374  1.00  0.00
ATOM     16  H   ALA     2       5.396  -1.039  -1.655  1.00  0.00
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.
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ATOM     53  N   ALA     8       2.080 -11.649  -1.431  1.00  0.00
ATOM     54  CA  ALA     8       1.064 -12.351  -2.205  1.00  0.00
ATOM     55  C   ALA     8       1.665 -13.356  -3.181  1.00  0.00
ATOM     56  O   ALA     8       1.073 -14.402  -3.454  1.00  0.00
ATOM     57  CB  ALA     8       0.208 -11.361  -2.979  1.00  0.00
ATOM     58  H   ALA     8       2.252 -10.685  -1.619  1.00  0.00
ATOM     59  HA  ALA     8       0.425 -12.920  -1.546  1.00  0.00
ATOM     60  N   ALA     9       2.844 -13.034  -3.704  1.00  0.00
ATOM     61  CA  ALA     9       3.492 -13.872  -4.706  1.00  0.00
ATOM     62  C   ALA     9       3.528 -15.333  -4.272  1.00  0.00
ATOM     63  O   ALA     9       3.018 -16.211  -4.968  1.00  0.00
ATOM     64  CB  ALA     9       4.908 -13.384  -4.969  1.00  0.00
ATOM     65  H   ALA     9       3.271 -12.173  -3.442  1.00  0.00
ATOM     66  HA  ALA     9       2.936 -13.839  -5.632  1.00  0.00
ATOM     67  N   NME    10       4.134 -15.587  -3.117  1.00  0.00
ATOM     68  CA  NME    10       4.239 -16.942  -2.588  1.00  0.00
ATOM     69  H   NME    10       4.529 -14.832  -2.599  1.00  0.00
TER