I'm dealing with a big system, part of a virus capside. It has more then 99999 atoms, so the pdb numeration for the atom field (limited to 5 characters) goes up to 99999 and then goes back to 1.
The problem arises when running doATOM_LIST, that reads the atoms list from the file specified at ATOMS_LIST variable. The format of that file is:
A 1
A 2
A 3
but the program is ignoring the chain and keeps the coordinates of the last atom with the specified atom number.
For example, in my ATOMS_LIST I have:
A 1419
At the reference pdb with atom number 1419, I have:
ATOM 1419 CA PRO A 93 102,561 103,879 248,131 1,00 63,18 C
ATOM 1419 CA VAL c6504 71,255 177,935 91,271 1,00 26,11 C
But from the application log, the selected atom is:
ATOM 1419 CA VAL c 6504 71,255 177,935 91,271 0,00 C
I'm dealing with a big system, part of a virus capside. It has more then 99999 atoms, so the pdb numeration for the atom field (limited to 5 characters) goes up to 99999 and then goes back to 1. The problem arises when running doATOM_LIST, that reads the atoms list from the file specified at ATOMS_LIST variable. The format of that file is:
A 1 A 2 A 3
but the program is ignoring the chain and keeps the coordinates of the last atom with the specified atom number. For example, in my ATOMS_LIST I have:
A 1419
At the reference pdb with atom number 1419, I have:
ATOM 1419 CA PRO A 93 102,561 103,879 248,131 1,00 63,18 C ATOM 1419 CA VAL c6504 71,255 177,935 91,271 1,00 26,11 C
But from the application log, the selected atom is:
ATOM 1419 CA VAL c 6504 71,255 177,935 91,271 0,00 C
Could it be fixed, please?