Commit c22a700a by Mustafa Tekpinar

Default CV cutoff was set to 8.0 Angstroms

parent ad6a987f
...@@ -53,7 +53,7 @@ accessType chain change this parameter with -d option of JET. See usage of ...@@ -53,7 +53,7 @@ accessType chain change this parameter with -d option of JET. See usage of
***************************************** *****************************************
>CV >CV
max_dist 6.0 max distance max_dist 8.0 max distance
***************************************** *****************************************
>Interface >Interface
cutoff 0 minimum percentage accessible surface variation of an interface residu cutoff 0 minimum percentage accessible surface variation of an interface residu
......
...@@ -157,7 +157,7 @@ def editDefaultConfChangeCVRC(CVRc): ...@@ -157,7 +157,7 @@ def editDefaultConfChangeCVRC(CVRc):
""" """
with open("default.conf", "r+" ) as file: with open("default.conf", "r+" ) as file:
fileContents = file.read() fileContents = file.read()
textPattern = re.compile( re.escape(">CV\nmax_dist 6.0")) textPattern = re.compile( re.escape(">CV\nmax_dist 8.0"))
fileContents = textPattern.sub(">CV\nmax_dist {:.1f}".format(CVRc), fileContents) fileContents = textPattern.sub(">CV\nmax_dist {:.1f}".format(CVRc), fileContents)
file.seek( 0 ) file.seek( 0 )
file.truncate() file.truncate()
...@@ -1016,7 +1016,7 @@ def parse_command_line(): ...@@ -1016,7 +1016,7 @@ def parse_command_line():
required=False, default=5) required=False, default=5)
parser.add_argument('--cvrc', dest='cvrc', type=float, \ parser.add_argument('--cvrc', dest='cvrc', type=float, \
help="Cutoff radius for CV (Circular Variance) calculation. Default is 6.0 Angstrom in default.conf file.)", help="Cutoff radius for CV (Circular Variance) calculation. Default is 8.0 Angstrom in default.conf file.)",
required=False, default=None) required=False, default=None)
# parser.add_argument('--coilbreakerlength', dest='coilbreakerlength', type=int, \ # parser.add_argument('--coilbreakerlength', dest='coilbreakerlength', type=int, \
......
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