Commit 6ec6f3b0 authored by Diogo Martins's avatar Diogo Martins
Browse files

issue 20 handle symmetry by default (-hsym 1)

parent fc4d3f23

README.md

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Original line number Diff line number Diff line
@@ -98,6 +98,7 @@ By default the output log file is written in the current working folder. Example 
| -lsrat   | Local-search rate                | 6 (%)         |

| -trat    | Tournament rate                  | 60 (%)        |

| -resnam  | Name for docking output log      | _"docking"_   |

| -hsym    | Handle symmetry in RMSD calc.    | 1             |



For a complete list of available arguments and their default values, check: [getparameters.cpp](host/src/getparameters.cpp).

doc/readme/readme_users.md

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Original line number Diff line number Diff line
@@ -75,6 +75,7 @@ By default the output log file is written in the current working folder. Example 
| -lsrat   | Local-search rate            | 6 (%)         |

| -trat    | Tournament rate              | 60 (%)        |

| -resnam  | Name for docking output log  | "docking"     |

| -hsym    | Handle symmetry in RMSD calc.| 1             |



For a complete list of available arguments and their default values, check: [getparameters.cpp](host/src/getparameters.cpp).

host/src/getparameters.cpp

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Original line number Diff line number Diff line
@@ -167,7 +167,7 @@ void get_commandpars(const int* argc, 
	mypars->reflig_en_reqired   = 0;

				    // char unbound_model

				    // AD4_free_energy_coeffs coeffs

	mypars->handle_symmetry     = 0;

	mypars->handle_symmetry     = 1;

	mypars->gen_finalpop        = 0;

	mypars->gen_best            = 0;

	strcpy(mypars->resname, "docking");