I am working with the log filles arranged in the following format:
Finding intramodel H-bonds
Constraints relaxed by 0.5 angstroms and 20 degrees
Models used:
1.1 SarsCov2_06I_nsp5holo_rep1.pdb
1.2 SarsCov2_06I_nsp5holo_rep1.pdb
1.3 SarsCov2_06I_nsp5holo_rep1.pdb
1.4 SarsCov2_06I_nsp5holo_rep1.pdb
1.5 SarsCov2_06I_nsp5holo_rep1.pdb
1.6 SarsCov2_06I_nsp5holo_rep1.pdb
1.7 SarsCov2_06I_nsp5holo_rep1.pdb
1.8 SarsCov2_06I_nsp5holo_rep1.pdb
1.9 SarsCov2_06I_nsp5holo_rep1.pdb
1.10 SarsCov2_06I_nsp5holo_rep1.pdb
1.11 SarsCov2_06I_nsp5holo_rep1.pdb
1.12 SarsCov2_06I_nsp5holo_rep1.pdb
1.13 SarsCov2_06I_nsp5holo_rep1.pdb
1.14 SarsCov2_06I_nsp5holo_rep1.pdb
30 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
SarsCov2_06I_nsp5holo_rep1.pdb #1.1/? THR 26 N SarsCov2_06I_nsp5holo_rep1.pdb #1.1/A UNL 888 O SarsCov2_06I_nsp5holo_rep1.pdb #1.1/? THR 26 H 3.477 2.692
SarsCov2_06I_nsp5holo_rep1.pdb #1.1/? GLU 166 N SarsCov2_06I_nsp5holo_rep1.pdb #1.1/A UNL 888 O SarsCov2_06I_nsp5holo_rep1.pdb #1.1/? GLU 166 H 3.129 2.160
SarsCov2_06I_nsp5holo_rep1.pdb #1.1/A UNL 888 N SarsCov2_06I_nsp5holo_rep1.pdb #1.1/? THR 26 O SarsCov2_06I_nsp5holo_rep1.pdb #1.1/A UNL 888 H 3.433 2.633
SarsCov2_06I_nsp5holo_rep1.pdb #1.2/? GLY 143 N SarsCov2_06I_nsp5holo_rep1.pdb #1.2/A UNL 888 O SarsCov2_06I_nsp5holo_rep1.pdb #1.2/? GLY 143 H 3.108 2.169
SarsCov2_06I_nsp5holo_rep1.pdb #1.2/? GLU 166 N SarsCov2_06I_nsp5holo_rep1.pdb #1.2/A UNL 888 O SarsCov2_06I_nsp5holo_rep1.pdb #1.2/? GLU 166 H 3.136 2.180
SarsCov2_06I_nsp5holo_rep1.pdb #1.2/A UNL 888 N SarsCov2_06I_nsp5holo_rep1.pdb #1.2/? THR 26 O SarsCov2_06I_nsp5holo_rep1.pdb #1.2/A UNL 888 H 3.426 2.631
SarsCov2_06I_nsp5holo_rep1.pdb #1.3/? GLN 189 NE2 SarsCov2_06I_nsp5holo_rep1.pdb #1.3/A UNL 888 S SarsCov2_06I_nsp5holo_rep1.pdb #1.3/? GLN 189 1HE2 3.568 2.993
SarsCov2_06I_nsp5holo_rep1.pdb #1.3/A UNL 888 N SarsCov2_06I_nsp5holo_rep1.pdb #1.3/? PHE 140 O SarsCov2_06I_nsp5holo_rep1.pdb #1.3/A UNL 888 H 3.119 2.247
SarsCov2_06I_nsp5holo_rep1.pdb #1.4/? HIS 163 NE2 SarsCov2_06I_nsp5holo_rep1.pdb #1.4/A UNL 888 N no hydrogen 3.044 N/A
SarsCov2_06I_nsp5holo_rep1.pdb #1.4/A UNL 888 N SarsCov2_06I_nsp5holo_rep1.pdb #1.4/? ARG 188 O SarsCov2_06I_nsp5holo_rep1.pdb #1.4/A UNL 888 H 3.046 2.116
SarsCov2_06I_nsp5holo_rep1.pdb #1.5/? GLU 166 N SarsCov2_06I_nsp5holo_rep1.pdb #1.5/A UNL 888 O SarsCov2_06I_nsp5holo_rep1.pdb #1.5/? GLU 166 H 3.146 2.335
SarsCov2_06I_nsp5holo_rep1.pdb #1.6/? ASN 142 ND2 SarsCov2_06I_nsp5holo_rep1.pdb #1.6/A UNL 888 O SarsCov2_06I_nsp5holo_rep1.pdb #1.6/? ASN 142 1HD2 2.977 2.229
SarsCov2_06I_nsp5holo_rep1.pdb #1.6/? GLY 143 N SarsCov2_06I_nsp5holo_rep1.pdb #1.6/A UNL 888 N SarsCov2_06I_nsp5holo_rep1.pdb #1.6/? GLY 143 H 3.312 2.502
SarsCov2_06I_nsp5holo_rep1.pdb #1.6/A UNL 888 N SarsCov2_06I_nsp5holo_rep1.pdb #1.6/? THR 190 O SarsCov2_06I_nsp5holo_rep1.pdb #1.6/A UNL 888 H 2.993 2.138
SarsCov2_06I_nsp5holo_rep1.pdb #1.7/? HIS 163 NE2 SarsCov2_06I_nsp5holo_rep1.pdb #1.7/A UNL 888 N no hydrogen 3.208 N/A
SarsCov2_06I_nsp5holo_rep1.pdb #1.7/A UNL 888 N SarsCov2_06I_nsp5holo_rep1.pdb #1.7/? ARG 188 O SarsCov2_06I_nsp5holo_rep1.pdb #1.7/A UNL 888 H 2.928 2.013
SarsCov2_06I_nsp5holo_rep1.pdb #1.8/? ASN 142 ND2 SarsCov2_06I_nsp5holo_rep1.pdb #1.8/A UNL 888 O SarsCov2_06I_nsp5holo_rep1.pdb #1.8/? ASN 142 1HD2 3.146 2.477
SarsCov2_06I_nsp5holo_rep1.pdb #1.8/A UNL 888 N SarsCov2_06I_nsp5holo_rep1.pdb #1.8/? THR 190 O SarsCov2_06I_nsp5holo_rep1.pdb #1.8/A UNL 888 H 2.986 2.138
SarsCov2_06I_nsp5holo_rep1.pdb #1.9/A UNL 888 N SarsCov2_06I_nsp5holo_rep1.pdb #1.9/? ARG 188 O SarsCov2_06I_nsp5holo_rep1.pdb #1.9/A UNL 888 H 3.295 2.571
SarsCov2_06I_nsp5holo_rep1.pdb #1.11/? ASN 142 ND2 SarsCov2_06I_nsp5holo_rep1.pdb #1.11/A UNL 888 O SarsCov2_06I_nsp5holo_rep1.pdb #1.11/? ASN 142 1HD2 3.013 2.056
SarsCov2_06I_nsp5holo_rep1.pdb #1.11/? GLU 166 N SarsCov2_06I_nsp5holo_rep1.pdb #1.11/A UNL 888 O SarsCov2_06I_nsp5holo_rep1.pdb #1.11/? GLU 166 H 3.158 2.376
SarsCov2_06I_nsp5holo_rep1.pdb #1.12/? HIS 41 NE2 SarsCov2_06I_nsp5holo_rep1.pdb #1.12/A UNL 888 S no hydrogen 3.850 N/A
SarsCov2_06I_nsp5holo_rep1.pdb #1.12/? GLY 143 N SarsCov2_06I_nsp5holo_rep1.pdb #1.12/A UNL 888 N SarsCov2_06I_nsp5holo_rep1.pdb #1.12/? GLY 143 H 3.125 2.149
SarsCov2_06I_nsp5holo_rep1.pdb #1.12/A UNL 888 N SarsCov2_06I_nsp5holo_rep1.pdb #1.12/? THR 190 O SarsCov2_06I_nsp5holo_rep1.pdb #1.12/A UNL 888 H 3.071 2.229
SarsCov2_06I_nsp5holo_rep1.pdb #1.13/? ASN 142 ND2 SarsCov2_06I_nsp5holo_rep1.pdb #1.13/A UNL 888 S SarsCov2_06I_nsp5holo_rep1.pdb #1.13/? ASN 142 2HD2 3.767 2.968
SarsCov2_06I_nsp5holo_rep1.pdb #1.13/? GLN 189 NE2 SarsCov2_06I_nsp5holo_rep1.pdb #1.13/A UNL 888 O SarsCov2_06I_nsp5holo_rep1.pdb #1.13/? GLN 189 1HE2 2.948 2.173
SarsCov2_06I_nsp5holo_rep1.pdb #1.13/A UNL 888 N SarsCov2_06I_nsp5holo_rep1.pdb #1.13/? PHE 140 O SarsCov2_06I_nsp5holo_rep1.pdb #1.13/A UNL 888 H 2.950 2.140
SarsCov2_06I_nsp5holo_rep1.pdb #1.14/? ASN 142 ND2 SarsCov2_06I_nsp5holo_rep1.pdb #1.14/A UNL 888 N SarsCov2_06I_nsp5holo_rep1.pdb #1.14/? ASN 142 1HD2 3.175 2.426
SarsCov2_06I_nsp5holo_rep1.pdb #1.14/? ASN 142 ND2 SarsCov2_06I_nsp5holo_rep1.pdb #1.14/A UNL 888 O SarsCov2_06I_nsp5holo_rep1.pdb #1.14/? ASN 142 1HD2 3.043 2.185
SarsCov2_06I_nsp5holo_rep1.pdb #1.14/A UNL 888 N SarsCov2_06I_nsp5holo_rep1.pdb #1.14/? THR 190 O SarsCov2_06I_nsp5holo_rep1.pdb #1.14/A UNL 888 H 3.245 2.377
I need to find the first occurence of the "GLU 166 N" pattern and print the number present on the same line just before the pattern as #1.number/?, associated with this pattern. So in the example the detected number should be 1 (since the associating number is #1.1/?).
I would start from basic pattern-detection
awk '/GLU 166 N/' file
but how to find correctly the number defined just before the pattern and print it as output ?
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