This is an input example, the 4th column is the residue name and the 6th the residue number, in the input there is a discontinuity in the residue number, when the residue name changes the residue number should be the previous residue number plus 1, so i need a script that will take a pdb file with discontinuities and will give a pdb file with the same format but with a continuous res numberATOM 310 1HH2 ARG A 607 -31.278 29.882 25.723 1.00 99.99 ATOM 311 2HH2 ARG A 607 -32.344 30.932 24.851 1.00 99.99 ATOM 312 N LEU A 608 -36.327 31.914 18.187 1.00 65.62 ATOM 313 CA LEU A 608 -37.435 32.634 17.559 1.00 67.47 ATOM 314 C LEU A 608 -38.434 33.052 18.624 1.00 74.29 ATOM 315 O LEU A 608 -38.982 32.201 19.331 1.00 71.12 ATOM 316 CB LEU A 608 -38.110 31.803 16.459 1.00 64.64 ATOM 317 CG LEU A 608 -39.261 32.481 15.719 1.00 71.07 ATOM 318 CD1 LEU A 608 -38.782 33.704 14.929 1.00 73.68 ATOM 319 CD2 LEU A 608 -39.981 31.498 14.829 1.00 69.63 ATOM 320 H LEU A 608 -36.638 31.041 18.563 1.00 99.99 ATOM 321 N ARG A 565 -38.634 34.587 18.911 1.00 22.27 ATOM 322 CA ARG A 565 -39.655 35.200 19.766 1.00 23.04 ATOM 323 C ARG A 565 -40.963 35.104 19.007 1.00 22.72 ATOM 324 O ARG A 565 -41.046 35.500 17.847 1.00 24.21 ATOM 325 CB ARG A 565 -39.275 36.643 20.105 1.00 99.99 ATOM 326 CG ARG A 565 -38.044 36.770 20.986 1.00 99.99
In reply to Re^2: Rearrange the residue number of a pdb file according to the residues names
by nastaziales
in thread Rearrange the residue number of a pdb file according to the residues names
by nastaziales
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