Skip to content

Instantly share code, notes, and snippets.

@sobolevnrm
Created December 23, 2020 02:03
Show Gist options
  • Save sobolevnrm/8f808d5618ac34ad410779520b333e12 to your computer and use it in GitHub Desktop.
Save sobolevnrm/8f808d5618ac34ad410779520b333e12 to your computer and use it in GitHub Desktop.
C-alpha force field for PDB2PQR
! C-alpha parameters for residues. 4.8 Å radius chosen based on work by
! D. Sept and A. Elcock
ALA CA 0.0000 0.000 0.000 4.8000
ARG CA 1.0000 0.000 0.000 4.8000
ASN CA 0.0000 0.000 0.000 4.8000
ASP CA -1.0000 0.000 0.000 4.8000
CYS CA 0.0000 0.000 0.000 4.8000
GLN CA 0.0000 0.000 0.000 4.8000
GLU CA -1.0000 0.000 0.000 4.8000
GLY CA 0.0000 0.000 0.000 4.8000
HIS CA 0.0000 0.000 0.000 4.8000
ILE CA 0.0000 0.000 0.000 4.8000
LEU CA 0.0000 0.000 0.000 4.8000
LYS CA 1.0000 0.000 0.000 4.8000
MET CA 0.0000 0.000 0.000 4.8000
PHE CA 0.0000 0.000 0.000 4.8000
PRO CA 0.0000 0.000 0.000 4.8000
SER CA 0.0000 0.000 0.000 4.8000
THR CA 0.0000 0.000 0.000 4.8000
TRP CA 0.0000 0.000 0.000 4.8000
TYR CA 0.0000 0.000 0.000 4.8000
VAL CA 0.0000 0.000 0.000 4.8000
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment