RESIDUE

NAME
RESIDUE - Read covalent topology of the residue
SYNOPSIS
RESIDUE res1
...
END
DESCRIPTION
The command RESIDUE read the covalent topology for the residue labeled res1. res1 must be a character string not to exceed 8 characters. The environment generated by this command can accept the following keywords:
atoms, bonds, rigid, dihed, imphd, omit_angle, backbone termatom, acc, don
This are described in the following paragraphs.
EXAMPLES
Residue topology of amino acid valine.
RESIDUE  val ( Total Charge =   0.0 )
atoms
group
n     n     -0.41570
hn    h      0.27190
ca    ct    -0.08750
ha    h1     0.09690
group
cb    ct     0.29850
hb    hc    -0.02970
group
cg1   ct    -0.31920
hg11  hc     0.07910
hg12  hc     0.07910
hg13  hc     0.07910
group
cg2   ct    -0.31920
hg21  hc     0.07910
hg22  hc     0.07910
hg23  hc     0.07910
group
c     c      0.59730
o     o     -0.56790
end

bonds
cb   ca     cg1  cb     cg2  cb     n    hn     
n    ca     o    c      c    ca     ca   ha     
cb   hb     cg1  hg11   cg1  hg12   cg1  hg13   cg2  hg21   
cg2  hg22   cg2  hg23   
end

imphd
 -c   ca   n    hn   ca   +n   c    o
end

termatom n c
backbone n ca c
END



Subsections

procacci 2021-12-29