terminating with uncaught exception of type NSException

[Xiaoyu Wang]

It’s my first time to run Autogrow4 on my MacBook Pro Mojave 10.14.6, and I get an message like this:

---

Best Score per generation
Number of top scoring compounds: 1
generation_number average affinity score
generation_1 -0.5333333333333333
generation_2 -0.5933333333333334
generation_3 -0.5933333333333334
generation_4 -0.5933333333333334
generation_5 -0.5933333333333334

2020-08-10 10:43:11.538 python[15449:386317] -[NSApplication macMinorVersion]: unrecognized selector sent to instance 0x7f9dfcf35fd0
2020-08-10 10:43:11.539 python[15449:386317] *** Terminating app due to uncaught exception ‘NSInvalidArgumentException’, reason: ‘-[NSApplication macMinorVersion]: unrecognized selector sent to instance 0x7f9dfcf35fd0’
*** First throw call stack:
(
0 CoreFoundation 0x00007fff3a83da7d __exceptionPreprocess + 256
1 libobjc.A.dylib 0x00007fff64f0ea17 objc_exception_throw + 48
2 CoreFoundation 0x00007fff3a8b7886 -[NSObject(NSObject) __retain_OA] + 0
3 CoreFoundation 0x00007fff3a7df8ef ___forwarding___ + 1485
4 CoreFoundation 0x00007fff3a7df298 _CF_forwarding_prep_0 + 120
5 libtk8.6.dylib 0x0000000625b65db9 SetCGColorComponents + 265
6 libtk8.6.dylib 0x0000000625b6667a TkpGetColor + 250
7 libtk8.6.dylib 0x0000000625aa0aa9 Tk_GetColor + 153
8 libtk8.6.dylib 0x0000000625a908e6 Tk_Get3DBorder + 134
9 libtk8.6.dylib 0x0000000625a9074f Tk_Alloc3DBorderFromObj + 127
10 libtk8.6.dylib 0x0000000625aa1fad DoObjConfig + 941
11 libtk8.6.dylib 0x0000000625aa1ae5 Tk_InitOptions + 357
12 libtk8.6.dylib 0x0000000625aa19c5 Tk_InitOptions + 69
13 libtk8.6.dylib 0x0000000625ad2b5c CreateFrame + 1548
14 libtk8.6.dylib 0x0000000625ad2e37 TkListCreateFrame + 151
15 libtk8.6.dylib 0x0000000625aca7f8 Initialize + 2168
16 _tkinter.cpython-37m-darwin.so 0x00000006258fea0f _tkinter_create + 1183
17 python 0x000000010e425ba6 _PyMethodDef_RawFastCallKeywords + 230
18 python 0x000000010e5662b1 call_function + 257
19 python 0x000000010e563daf _PyEval_EvalFrameDefault + 45215
20 python 0x000000010e557a42 _PyEval_EvalCodeWithName + 418
21 python 0x000000010e424867 _PyFunction_FastCallDict + 231
22 python 0x000000010e4a8481 slot_tp_init + 193
23 python 0x000000010e4b2441 type_call + 241
24 python 0x000000010e425573 _PyObject_FastCallKeywords + 179
25 python 0x000000010e56633f call_function + 399
26 python 0x000000010e564052 _PyEval_EvalFrameDefault + 45890
27 python 0x000000010e425368 function_code_fastcall + 120
28 python 0x000000010e566265 call_function + 181
29 python 0x000000010e563daf _PyEval_EvalFrameDefault + 45215
30 python 0x000000010e557a42 _PyEval_EvalCodeWithName + 418
31 python 0x000000010e424867 _PyFunction_FastCallDict + 231
32 python 0x000000010e428782 method_call + 130
33 python 0x000000010e4261e2 PyObject_Call + 130
34 python 0x000000010e5641c6 _PyEval_EvalFrameDefault + 46262
35 python 0x000000010e557a42 _PyEval_EvalCodeWithName + 418
36 python 0x000000010e425a73 _PyFunction_FastCallKeywords + 195
37 python 0x000000010e566265 call_function + 181
38 python 0x000000010e563f99 _PyEval_EvalFrameDefault + 45705
39 python 0x000000010e425368 function_code_fastcall + 120
40 python 0x000000010e566265 call_function + 181
41 python 0x000000010e563f99 _PyEval_EvalFrameDefault + 45705
42 python 0x000000010e557a42 _PyEval_EvalCodeWithName + 418
43 python 0x000000010e425a73 _PyFunction_FastCallKeywords + 195
44 python 0x000000010e566265 call_function + 181
45 python 0x000000010e563daf _PyEval_EvalFrameDefault + 45215
46 python 0x000000010e425368 function_code_fastcall + 120
47 python 0x000000010e566265 call_function + 181
48 python 0x000000010e563f99 _PyEval_EvalFrameDefault + 45705
49 python 0x000000010e557a42 _PyEval_EvalCodeWithName + 418
50 python 0x000000010e425a73 _PyFunction_FastCallKeywords + 195
51 python 0x000000010e566265 call_function + 181
52 python 0x000000010e563daf _PyEval_EvalFrameDefault + 45215
53 python 0x000000010e425368 function_code_fastcall + 120
54 python 0x000000010e566265 call_function + 181
55 python 0x000000010e563daf _PyEval_EvalFrameDefault + 45215
56 python 0x000000010e557a42 _PyEval_EvalCodeWithName + 418
57 python 0x000000010e5bb9a0 PyRun_FileExFlags + 256
58 python 0x000000010e5bb104 PyRun_SimpleFileExFlags + 388
59 python 0x000000010e5e6edc pymain_main + 9148
60 python 0x000000010e3f7ece main + 142
61 libdyld.dylib 0x00007fff666dc3d5 start + 1
)
libc++abi.dylib: terminating with uncaught exception of type NSException
Abort trap: 6

---

It seems the output PDB and SMILES were generated, but the whole program was abnormally terminated. Please help me! I wonder what happened? were there any dependencies not well installed?

[Jacob Durrant]

HI Xiaoyu. Much thanks for your interest in AutoGrow. You’re right to guess that this isn’t an error from AutoGrow itself, but rather one of the dependencies. Unfortunately, the error thrown is pretty cryptic! Looking over your errors, the strings "Tk_GetColor" and "Tk_InitOptions" make me think you might have a problem with your TK library installation: https://web.ics.purdue.edu/~aai/tcl8.4a4/html/TkLib/contents.htm

Have you tried using the AutoGrow4 Docker container? We created it with the goal of addressing the many OS-specific bugs like this that might arise in third-party libraries. You can find the files in the official repo: https://git.durrantlab.pitt.edu/jdurrant/autogrow4/-/tree/4.0.2/docker

Take care,

Jacob

[Jacob Durrant]

Hi again Xiaoyu. My student pointed out that you may have encountered this error in the plotting script, not the main AutoGrow4 script. Is that right? He seems to think your Autogrow4 run may have completed after all, but that you’re just unable to plot the results. Regardless, I still recommend trying the docker container or reinstalling tkinter, since that seems to be where the dependency problem is. Take care.

[Author]

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