Sysadmin: Revised formatting

2022-09-26T21:02:31Z

Revised formatting

← Older revision		Revision as of 21:02, 26 September 2022
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	Dragon5~~: (IT IS OKAY TO USE~~ .mol and .hin or any other format usable on Dragon, no issues what so ever)		====== Dragon5 ======
			It is okay to use .mol and .hin, or any other format usable on Dragon, with no issues what so ever.

	# Open “Dragon5.exe,” exit out of the small windows that pup up.		# Open “Dragon5.exe,” exit out of the small windows that pup up.
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	# In Notepad++, select all the information and copy onto an EXCEL worksheet. If desired you can delete the first 2 rows of the information on Notepad++. It is recommended to write the number of descriptors. This will help you later. It is listed in the 2<sup>nd</sup> row, 3<sup>rd</sup> column.		# In Notepad++, select all the information and copy onto an EXCEL worksheet. If desired you can delete the first 2 rows of the information on Notepad++. It is recommended to write the number of descriptors. This will help you later. It is listed in the 2<sup>nd</sup> row, 3<sup>rd</sup> column.
	# Once all the information is saved onto Excel then exit out of the Notepad++ file.		# Once all the information is saved onto Excel then exit out of the Notepad++ file.

	~~<br />~~
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Sysadmin: Imported from text file

2022-09-26T19:21:17Z

Imported from text file

New page

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Dragon5: (IT IS OKAY TO USE *.mol and *.hin or any other format usable on Dragon, no issues what so ever)

# Open “Dragon5.exe,” exit out of the small windows that pup up.
# Select “Calculate Descriptors” and then select all the “.mol2” files that you want to calculate. Use the ‘Ctrl’ button when selecting the files so all desired files can be selected.
# Press the green check mark “OK” when all desired files are selected.
# Choose the desired descriptors you want calculated for these molecule files. “X” means checked. Then press RUN.
# Press Continue when the small window pops up.
# A yellow window pops up and gives information about the calculations. If no errors are listed on the yellow window then exit out of it.
# Select “Save Descriptors.”
# Make sure “Constant Variables” & “Near-Constant Variables” are selected “x.” Select “Pair Correlation” and pick .95 or something around that number.
# Press “Save” and save as “.txt” file.
# Leave Dragon open for future use.
# Find the file you saved and open with Notepad++. You can do this by finding the file and right clicking on the file. Select “Edit with Notepad++” to open it in Notepad++.
# In Notepad++, select all the information and copy onto an EXCEL worksheet. If desired you can delete the first 2 rows of the information on Notepad++. It is recommended to write the number of descriptors. This will help you later. It is listed in the 2nd row, 3rd column.
# Once all the information is saved onto Excel then exit out of the Notepad++ file.

Dragon5 Procedure - Revision history

Sysadmin: Revised formatting

Sysadmin: Imported from text file