mrcImageToNAMDConstantForces

mrcImageToNAMDConstantForces is Eos's Command that performs modeling to PDB by using Differential image of 3D image.

List of option

Main option

Option	Essential/Optional	Description	Default
-i	Essential	Input: mrcImage	NULL
-ip	Essential	Input: PDB	NULL
-o	Optional	Output: PDB with Constant Force	stdout
-w	Optional	Input: Weight for Constant Force	1.0
-s	Optional	Input: Scaling Factor for Constant Force	1.0
-C	Optional	Input: Contour[if density>Contour, force=0]	0.0
-R	Optional	Input: RotateMode	0
-RW	Optional	Input: RotateWeight	0.1
-S	Optional	Input: Seed	0.0
-nowat	Optional	No force for WAT (water residue)
-c	Optional	ConfigurationFile	NULL
-m	Optional	Mode	0
-h	Optional	Help

More Density is lower potential.

-m details

Value	Description
0

Execution example

Input file's image

-i file's image

xy-plane

yz-plane

Min Max Mean SD SE

0 (0, 0, 0) 3500.79 (49, 53, 30) 11.0585 118.123 0.118123

-ip file's image

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

6.053012e+00 2.519590e+01 1.189075e+01 3.286664e+01 24.77 23.85 28.04

Example of options only essential

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

3.329278e+01 4.215719e+01 4.546610e+01 1.405992e+03 1199.81 1200.39 1195.50