NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image	mrblock_id	pdb_id	cing	stage	position	program	type	subtype
	27068	2ox2	cing	1-original	3	AMBER	stereochemistry	chirality

#====================================================================
#
#
#
#
#
#
#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat=3,8,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 10., rk3=10.,  &end
#
#  chirality for residue 1 atoms:  CB CD HG2 HG3
 &rst iat=5,11,9,10, &end
#
#  chirality for residue 1 atoms:  CG NE HD2 HD3
 &rst iat=8,14,12,13, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,23,4,5, &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat=27,32,30,31, &end
#
#  chirality for residue 2 atoms:  CB CD HG2 HG3
 &rst iat=29,35,33,34, &end
#
#  chirality for residue 2 atoms:  CG NE HD2 HD3
 &rst iat=32,38,36,37, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=25,47,28,29, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=51,56,54,55, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=49,71,52,53, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=75,80,78,79, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=73,95,76,77, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=99,104,102,103, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=97,115,100,101, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=119,124,122,123, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=121,127,125,126, &end
#
#  chirality for residue 6 atoms:  CG NE HD2 HD3
 &rst iat=124,130,128,129, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=117,139,120,121, &end

Contact the webmaster for help, if required. Sunday, April 28, 2024 9:07:58 PM GMT (wattos1)