diff --git a/pdbfixer/__init__.py b/pdbfixer/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..4c4cd17a06162aa6c3cb16f8cde9a924f5db5ff1 --- /dev/null +++ b/pdbfixer/__init__.py @@ -0,0 +1,3 @@ +from __future__ import absolute_import +from .pdbfixer import PDBFixer + diff --git a/pdbfixer/__pycache__/__init__.cpython-310.pyc b/pdbfixer/__pycache__/__init__.cpython-310.pyc new file mode 100644 index 0000000000000000000000000000000000000000..6d57d924401c93d8f58e6aaee68531de22c27aee Binary files /dev/null and b/pdbfixer/__pycache__/__init__.cpython-310.pyc differ diff --git a/pdbfixer/__pycache__/__init__.cpython-38.pyc b/pdbfixer/__pycache__/__init__.cpython-38.pyc new file mode 100644 index 0000000000000000000000000000000000000000..030494369b46ecd1f50b7238b986cd2955445374 Binary files /dev/null and b/pdbfixer/__pycache__/__init__.cpython-38.pyc differ diff --git a/pdbfixer/__pycache__/pdbfixer.cpython-310.pyc b/pdbfixer/__pycache__/pdbfixer.cpython-310.pyc new file mode 100644 index 0000000000000000000000000000000000000000..2d2ad33be05648b71a8fd0e58018bd38e6f827e6 Binary files /dev/null and b/pdbfixer/__pycache__/pdbfixer.cpython-310.pyc differ diff --git a/pdbfixer/__pycache__/pdbfixer.cpython-38.pyc b/pdbfixer/__pycache__/pdbfixer.cpython-38.pyc new file mode 100644 index 0000000000000000000000000000000000000000..dca1e63b4428339d0383e3275da830d6cf9ae5db Binary files /dev/null and b/pdbfixer/__pycache__/pdbfixer.cpython-38.pyc differ diff --git a/pdbfixer/__pycache__/ui.cpython-38.pyc b/pdbfixer/__pycache__/ui.cpython-38.pyc new file mode 100644 index 0000000000000000000000000000000000000000..2138c101449f59710f63ec4416270f2fe792e098 Binary files /dev/null and b/pdbfixer/__pycache__/ui.cpython-38.pyc differ diff --git a/pdbfixer/__pycache__/uiserver.cpython-38.pyc b/pdbfixer/__pycache__/uiserver.cpython-38.pyc new file mode 100644 index 0000000000000000000000000000000000000000..5082d402cac5094f39edcb04241710ae598ad45f Binary files /dev/null and b/pdbfixer/__pycache__/uiserver.cpython-38.pyc differ diff --git a/pdbfixer/html/addHeavyAtoms.html b/pdbfixer/html/addHeavyAtoms.html new file mode 100644 index 0000000000000000000000000000000000000000..d4293783b0cc5f30ac449cd179db3cfaf6ca2bf3 --- /dev/null +++ b/pdbfixer/html/addHeavyAtoms.html @@ -0,0 +1,15 @@ +The following residues are missing heavy atoms, which will be added. +
+
+ + +
+
+
+ Load File
+Select Chains
+Add Residues
+Convert Residues
+Add Heavy Atoms
+Add Water/Hydrogens
+Save File
+ + \ No newline at end of file diff --git a/pdbfixer/html/quit.html b/pdbfixer/html/quit.html new file mode 100644 index 0000000000000000000000000000000000000000..b25fe55e713b60994da08b43e501af74e689cb5d --- /dev/null +++ b/pdbfixer/html/quit.html @@ -0,0 +1,9 @@ + + ++
+ + + \ No newline at end of file diff --git a/pdbfixer/html/saveFile.html b/pdbfixer/html/saveFile.html new file mode 100644 index 0000000000000000000000000000000000000000..c9be4a27316c4d1f69ff1a8bc0ea38870ad9ba4e --- /dev/null +++ b/pdbfixer/html/saveFile.html @@ -0,0 +1,12 @@ +The fixed PDB file is ready to save. ++
+ + + diff --git a/pdbfixer/html/start.html b/pdbfixer/html/start.html new file mode 100644 index 0000000000000000000000000000000000000000..3d14ed83e95c413f8cb3ca219c06e9cda2d71b51 --- /dev/null +++ b/pdbfixer/html/start.html @@ -0,0 +1,39 @@ + + ++
+ + ++ diff --git a/pdbfixer/html/addHydrogens.html b/pdbfixer/html/addHydrogens.html new file mode 100644 index 0000000000000000000000000000000000000000..ec4aca4d3e45dff48296eb878c12226e3542f93b --- /dev/null +++ b/pdbfixer/html/addHydrogens.html @@ -0,0 +1,197 @@ + + +
+ + + diff --git a/pdbfixer/html/addResidues.html b/pdbfixer/html/addResidues.html new file mode 100644 index 0000000000000000000000000000000000000000..f396c8ba9bf7c11d86c4f0bf8bebc023f56283a5 --- /dev/null +++ b/pdbfixer/html/addResidues.html @@ -0,0 +1,16 @@ +The sequence records in this PDB file include residues that are missing from the atom data section. Do you want to add the missing residues? +
+
+ + + diff --git a/pdbfixer/html/convertResidues.html b/pdbfixer/html/convertResidues.html new file mode 100644 index 0000000000000000000000000000000000000000..0a5a46424778d33ce098b373735ea8517903d09a --- /dev/null +++ b/pdbfixer/html/convertResidues.html @@ -0,0 +1,16 @@ +This PDB file contains non-standard residues. Do you want to convert them to standard residues? +
+
+ + + \ No newline at end of file diff --git a/pdbfixer/html/error.html b/pdbfixer/html/error.html new file mode 100644 index 0000000000000000000000000000000000000000..bd5a32784f695982a1e7b60aaeb767840d7c7f86 --- /dev/null +++ b/pdbfixer/html/error.html @@ -0,0 +1,9 @@ +
+
+ + + diff --git a/pdbfixer/html/header.html b/pdbfixer/html/header.html new file mode 100644 index 0000000000000000000000000000000000000000..45e7e0d60f290f0fe8ab087c85c23cb9b7f3825c --- /dev/null +++ b/pdbfixer/html/header.html @@ -0,0 +1,122 @@ + +
+
+ + + +