7

file a

ATOM   1149  N   MET B
ATOM   1150  CA  MET B
ATOM   1151  C   MET B
ATOM   1152  O   MET B
ATOM   1153  CB  MET B
ATOM   1154  CG  MET B
ATOM   1155  SD  MET B
ATOM   1156  CE  MET B
ATOM   1157  N   SER B
ATOM   1158  CA  SER B

file b

   1
   1
   1
   1
   1
   1
   1
   1
   2
   2

file c

    -16.392 -20.171 -30.339  1.00140.13           N
    -15.456 -21.035 -31.092  1.00140.13           C
    -14.468 -20.202 -31.838  1.00140.13           C
    -13.272 -20.492 -31.837  1.00140.13           O
    -16.220 -21.911 -32.099  1.00140.13           C
    -16.929 -21.120 -33.199  1.00140.13           C
    -18.383 -20.178 -32.645  1.00140.13           S
    -19.479 -21.621 -32.504  1.00140.13           C
    -14.951 -19.121 -32.478  1.00 86.33           N
    -14.079 -18.275 -33.229  1.00 86.33           C

I have to use paste command to put the above files together in the below format, with the same spaces in between the columns.

I tried this:

paste a b c >bchain.pdb

My output

ATOM   1149  N   MET B     1         -16.392 -20.171 -30.339  1.00140.13           N
ATOM   1150  CA  MET B     1         -15.456 -21.035 -31.092  1.00140.13           C
ATOM   1151  C   MET B     1         -14.468 -20.202 -31.838  1.00140.13           C
ATOM   1152  O   MET B     1         -13.272 -20.492 -31.837  1.00140.13           O
ATOM   1153  CB  MET B     1         -16.220 -21.911 -32.099  1.00140.13           C
ATOM   1154  CG  MET B     1         -16.929 -21.120 -33.199  1.00140.13           C
ATOM   1155  SD  MET B     1         -18.383 -20.178 -32.645  1.00140.13           S
ATOM   1156  CE  MET B     1         -19.479 -21.621 -32.504  1.00140.13           C
ATOM   1157  N   SER B     2         -14.951 -19.121 -32.478  1.00 86.33           N
ATOM   1158  CA  SER B     2         -14.079 -18.275 -33.229  1.00 86.33           C

But expected output

ATOM   1149  N   MET B   1     -16.392 -20.171 -30.339  1.00140.13           N
..........
ATOM   1209  N   ARG B  10       3.940  -0.720 -30.221  1.00 88.10           N
...........
ATOM   1882  N   SER B 100      -4.110 -12.604 -45.170  1.00 88.85           N

1 Answer 1

10

Just tell paste not to add any delimiting character, if your files already have the spacing you need

$ paste -d '' a b c
ATOM   1149  N   MET B   1    -16.392 -20.171 -30.339  1.00140.13           N
ATOM   1150  CA  MET B   1    -15.456 -21.035 -31.092  1.00140.13           C
ATOM   1151  C   MET B   1    -14.468 -20.202 -31.838  1.00140.13           C
ATOM   1152  O   MET B   1    -13.272 -20.492 -31.837  1.00140.13           O
ATOM   1153  CB  MET B   1    -16.220 -21.911 -32.099  1.00140.13           C
ATOM   1154  CG  MET B   1    -16.929 -21.120 -33.199  1.00140.13           C
1
  • 2
    Great question edit too!
    – Arronical
    Mar 16, 2017 at 11:18

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