pdb2ucd

pdb2ucd is Eos's Command.

List of option

Main option

Option	Essential/Optional	Description	Default
-i	Essential	Input: PDB	NULL
-o	Essential	Output	NULL
-c	Optional	ConfigurationFile	NULL
-m	Optional	Mode	0
-h	Optional	Help

-m details

Value	Description
0

Execution example

Input file 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

Output

nNodeComponent 4nElement 1
nElement 1
nElement 1
nElement 1
0 TemperatureFactor A2
1 ChainID 
2 ResNum 
3 CA 

-o 's data

166 165 4 0 0
0 -5.913000 31.927999 -6.676000
1 -4.759000 28.930000 -4.751000
2 -4.531000 29.674000 -1.062000
3 -2.465000 27.513000 1.336000
4 -3.586000 27.580000 4.978000

...

161 3.951000 18.742001 0.732000
162 0.404000 20.135000 0.490000
163 0.711000 20.049999 -3.346000
164 1.520000 16.308001 -3.145000
165 -1.217000 15.280000 -0.638000
0 1 line 0 1 
1 1 line 1 2 
2 1 line 2 3 
3 1 line 3 4 
4 1 line 4 5 

...

160 1 line 160 161 
161 1 line 161 162 
162 1 line 162 163 
163 1 line 163 164 
164 1 line 164 165 
4 1 1 1 1 
TemperatureFactor, A2
ChainID, 
ResNum, 
CA, 
0 17.270000 65.000000 1.000000 1.000000 
1 16.709999 65.000000 2.000000 1.000000 
2 19.320000 65.000000 3.000000 1.000000 
3 15.130000 65.000000 4.000000 1.000000 
4 16.799999 65.000000 5.000000 1.000000 

...

161 14.550000 65.000000 162.000000 1.000000 
162 15.140000 65.000000 163.000000 1.000000 
163 19.200001 65.000000 164.000000 1.000000 
164 26.920000 65.000000 165.000000 1.000000 
165 28.840000 65.000000 166.000000 1.000000