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Chloe Dequeker
INTBuilder
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8d1f23a5
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8d1f23a5
authored
Jan 03, 2017
by
Chloe Dequeker
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README
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8d1f23a5
INTBuilder MANUAL
#######################
## INTBuilder MANUAL ##
#######################
In order to compile INTBuilder, place yourself in its directory and execute the command
In order to compile INTBuilder, place yourself in its directory and execute the command
make
make
...
@@ -8,11 +10,11 @@ An help can then be printed with the following command :
...
@@ -8,11 +10,11 @@ An help can then be printed with the following command :
Any option followed by '%' awaits an argument
Any option followed by '%' awaits an argument
Here is an example to run INTBuilder:
Here is an example
of how
to run INTBuilder:
./INTBuilder -ZDOCK -dockingFile example/1E6E.out -pdbDir example/ -rec 1E6E_r_u_m -lig 1E6E_l_u_m
./INTBuilder -ZDOCK -dockingFile example/1E6E.out -pdbDir example/ -rec 1E6E_r_u_m -lig 1E6E_l_u_m
This will output
2
interface file 1E6E_r_u_m-1E6E_l_u_m_lig_42_dockinter.txt and 1E6E_r_u_m-1E6E_l_u_m_rec_42_dockinter.txt.
This will output
two
interface file 1E6E_r_u_m-1E6E_l_u_m_lig_42_dockinter.txt and 1E6E_r_u_m-1E6E_l_u_m_rec_42_dockinter.txt.
Each line of these files corresponds to one interface.
Each line of these files corresponds to one interface.
The first number (ID) of the line corresponds to the ID of the conformation. It is then followed for each residue belonging to the interface by :
The first number (ID) of the line corresponds to the ID of the conformation. It is then followed for each residue belonging to the interface by :
...
@@ -25,4 +27,6 @@ Should you run INTBuilder with an atomic resolution, the output will then be
...
@@ -25,4 +27,6 @@ Should you run INTBuilder with an atomic resolution, the output will then be
for each atom belonging to the interface.
for each atom belonging to the interface.
If INTBuilder is run in <-complex> mode, the conformation ID in the interface file has the value 0.
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