vector2pdb

vector2pdb is Eos's Command that creates PDB file by inputting parameter.

List of option

Main option

Option	Essential/Optional	Description	Default
-o	Optional	Output: PDB	stdout
-v	Optional	Input: Vector: (vx, vy, vz)	(1, 0, 0)
-polar	Optional	Input: Vector[degree]: (phi, theta)	(0, 0)
-polarz	Optional	Input: z-axis for polar: (zx, zy, zz)	(0, 0, 1)
-polarx	Optional	Input: x-axis for polar: (xx, xy, xz)	(1, 0, 0)
-ori	Optional	Input: origin: (sx, sy, sz)	(0, 3, 0)
-step	Optional	Input: step: [A]	1.6
-n	Optional	Input: Number Of CA	20
-ID	Optional	Input: Chain ID	A
-Res	Optional	Input: Chain ID	GLY
-c	Optional	ConfigurationFile	NULL
-m	Optional	Mode	0
-h	Optional	Help

-m details

Value	Description
0

Execution example

Case: Options only essential

Gravity Centre(CA) Atom far from Centre(CA) Atom far from Centre(CA, Axis)

1.520000e+01 3.000000e+00 0.000000e+00 1.520000e+01 15.20 0.00 0.00

Option -v

Case: v=(1, 2, 3)

Gravity Centre(CA) Atom far from Centre(CA) Atom far from Centre(CA, Axis)

4.062400e+00 1.112470e+01 1.218715e+01 1.520002e+01 4.06 8.12 12.19

Option -polar

Case: polar=(30, 45), v=(1, 2, 3)

Gravity Centre(CA) Atom far from Centre(CA) Atom far from Centre(CA, Axis)

9.308100e+00 8.374000e+00 1.074800e+01 1.520000e+01 9.31 5.37 10.75

Option -polarz

Case: polarz=(3, 2, 1), polar=(30, 45), v=(1, 2, 3)

Gravity Centre(CA) Atom far from Centre(CA) Atom far from Centre(CA, Axis)

1.377120e+01 9.259950e+00 -1.485850e+00 1.520002e+01 13.77 6.26 1.49

Option -polarx

Case: polarx=(1, 2, 3), polar=(30, 45), v=(1, 2, 3)

Gravity Centre(CA) Atom far from Centre(CA) Atom far from Centre(CA, Axis)

-1.781550e+00 8.668600e+00 1.399045e+01 1.519999e+01 1.78 5.67 13.99

Option -ori

Case: ori=(7, 3, 5), v=(1, 2, 3)

Gravity Centre(CA) Atom far from Centre(CA) Atom far from Centre(CA, Axis)

1.106240e+01 1.112470e+01 1.718715e+01 1.520002e+01 4.06 8.12 12.19

Option -step

Case: step=3.2, v=(1, 2, 3)

Gravity Centre(CA) Atom far from Centre(CA) Atom far from Centre(CA, Axis)

8.124700e+00 1.924945e+01 2.437420e+01 3.039995e+01 8.12 16.25 24.37

Option -n

Case: n=30, v=(1, 2, 3)

Gravity Centre(CA) Atom far from Centre(CA) Atom far from Centre(CA, Axis)

6.200467e+00 1.540090e+01 1.860140e+01 2.320029e+01 6.20 12.40 18.60