Question: How To Apply A Rotation Matrix To Pdb File?
2
gravatar for ring1130
5.6 years ago by
ring113020
ring113020 wrote:

Hi everyone! I'm looking for some help how to apply a rotation matrix to pdb file with perl script on ubuntu(linux)? Could you help me how to write a program? i'm not a bioinformatics student but i got that task and i really don't know how to do it. :( Thanks!!!!!

perl ubuntu linux pdb matrix • 3.8k views
ADD COMMENTlink modified 5.6 years ago by Neilfws48k • written 5.6 years ago by ring113020
1
gravatar for João Rodrigues
5.6 years ago by
João Rodrigues2.4k
Stanford University, U
João Rodrigues2.4k wrote:

Basically, you have to calculate the dot product of the atom coordinates and the rotation matrix, for all atoms, replacing the coords of each atom as you go.

Have a look here

ADD COMMENTlink written 5.6 years ago by João Rodrigues2.4k
1
gravatar for Neilfws
5.6 years ago by
Neilfws48k
Sydney, Australia
Neilfws48k wrote:

This page describing the script convpdb.pl might help. You can download the code from there (click "Show source"). I have not tested it.

The rotation matrix and PDB file are supplied as arguments to the script. For example, to rotate 180 degrees around the x-axis:

  convpdb.pl -rotate 1 0 0 0 1 0 0 0 1 myfile.pdb
ADD COMMENTlink written 5.6 years ago by Neilfws48k
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