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Copy file name to clipboardExpand all lines: README.md
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@@ -13,18 +13,23 @@ pip install apbs-binary
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```
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```python
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from apbs_binary importAPBS_BIN_PATH, MULTIVALUE_BIN_PATH, apbs, multivalue, process_run
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from apbs_binary importrun_apbs, popen_apbs, run_multivalue, popen_multivalue
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# Run apbs
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print(APBS_BIN_PATH)
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apbs("--help")
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run_apbs("--help") # like subprocess.run(["apbs", "-h"])
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popen_apbs("--help") # like subprocess.Popen(["apbs", "-h"])
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# For no-argument case, pass an empty string
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run_apbs("") # like subprocess.run(["apbs"])
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# Pass a list of arguments
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run_apbs(["-Trim", "input.pdb"])
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# Run multivalue
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print(MULTIVALUE_BIN_PATH)
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multivalue()
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run_multivalue(...)
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popen_multivalue(...)
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```
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The other tools are also available, but not all of them have the function wrappers. Use as `apbs_binary.process_run("analysis", "--help")` for example.
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The other tools are also available. Use as `apbs_binary.run_analysis("--help")` for example.
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Supported platforms:
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@@ -33,7 +38,8 @@ Supported platforms:
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> [!NOTE]
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> Installing the package does NOT put the binary in $PATH.
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> Instead, the API will tell you where it is located.
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> If you need to directly execute the binary, you can execute `apbs_binary.APBS_BIN_PATH` on Linux.
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> For macOS, the environment variable `DYLD_LIBRARY_PATH` must be set to `apbs_binary.LIB_DIR`.
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