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标题: 薛定谔诱导契合对接报错：UnicodeEncodeError: 'gbk' codec can't enc... [打印本页]

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Author: Lyueyang2020 时间: 2024-6-3 21:29
标题: 薛定谔诱导契合对接报错：UnicodeEncodeError: 'gbk' codec can't enc...
在使用薛定谔诱导契合对接模块的时候，没有成功过，普通分子对接是可以的，报错如下，恳请大佬解答，万分感激！

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Induced Fit Docking Calculation

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General:

JobHost: localhost

#Prime CPUs: 1

#Glide CPUs: 1

Working Dir:

Stage: Glide Docking

Stage: Determine Residues for Refinement

Distance Cutoff: 5.0 A

Additional Residues:

Omit Residues:

Stage: Prime Active Site Optimization

Number of Passes: 1

Implicit Membrane: no

Stage: Sorting and Filtering

Pose Filter: r_psp_Prime_Energy

Keep: 30.0

Ligand Filter: <none>

Keep: <none>

Stage: Sorting and Filtering

Pose Filter: r_psp_Prime_Energy

Keep: 20#

Ligand Filter: <none>

Keep: <none>

Stage: Glide Docking

Stage: Scoring

Score = + 1.0 r_i_glide_gscore(0) + 0.05 r_psp_Prime_Energy(1)

Report File: report.csv

Number of initial structures: 1

=================================================

Stage: Glide Docking

=================================================

[running at reduced cpu priority]

Traceback (most recent call last):

File "E:\0_program_file\Schrodinger_2021\psp-v6.4\bin\Windows-x64\ifd_driver.py", line 12390, in <module>

workingFiles = stage.run(workingFiles, cleanup=rolling_cleanup)

File "E:\0_program_file\Schrodinger_2021\psp-v6.4\bin\Windows-x64\ifd_driver.py", line 4038, in run

self._setupJobs()

File "E:\0_program_file\Schrodinger_2021\psp-v6.4\bin\Windows-x64\ifd_driver.py", line 5461, in _setupJobs

self.execute_batch_glide(settings['jobname'] + "_batchglide",

File "E:\0_program_file\Schrodinger_2021\psp-v6.4\bin\Windows-x64\ifd_driver.py", line 4854, in execute_batch_glide

print(log_contents)

UnicodeEncodeError: 'gbk' codec can't encode character '\u05fc' in position 3666: illegal multibyte sequence

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