pdbListRMSDCalc

pdbListRMSDCalc is Eos's Command that outputs RMSD(Root Mean Square Deviation) from PDB File List.

List of option

Main option

Option	Essential/Optional	Description	Default
-i	Essential	Input: ASCII(File List)	NULL
-r	Optional	Reference: PDB(For m=1 only)	NULL
-o	Essential	Output: PDB	NULL
-c	Optional	ConfigurationFile	NULL
-m	Optional	Mode	0
-h	Optional	Help

-m details

Value	Description
0	RMSD: against average
1	RMSD: against reference

Input file list format

PDBfile1
PDBfile2
        .
        .
        .

Execution example

Input file's data

Input-121P-T1.pdb
Input-121P-T2.pdb
Input-121P-T3.pdb

Input-121P-T1.pdb's image

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

6.053012e+00 9.408175e+00 2.622422e+01 3.286665e+01 24.77 22.88 23.78

Input-121P-T2.pdb'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

Input-121P-T3.pdb's image

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

5.097651e-01 1.932045e+01 1.188975e+01 3.286711e+01 23.93 24.14 28.04

Case: Options only essential

File:Outdata-pdbListRMSDCalc.png

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

Option -m

Case: m=1

Reference 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

File:Outdata-m1-pdbListRMSDCalc.png

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