How to use Blastermaster 2.0 on UCSF computers: Difference between revisions
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= Using Blastermaster 2.0 = | |||
== 0. Copy the blaster config file to your directory == | == 0. Copy the blaster config file to your directory == | ||
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The following will generate a file called "blaster_config.ini" | The following will generate a file called "blaster_config.ini" | ||
blasterconfig | blasterconfig | ||
The following will generate a file called whatever you put for <BLASTER_CONFIG_FILE_NAME> | The following will generate a file called whatever you put for <BLASTER_CONFIG_FILE_NAME> | ||
blasterconfig <BLASTER_CONFIG_FILE_NAME> | blasterconfig <BLASTER_CONFIG_FILE_NAME> | ||
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blastermaster <BLASTER_CONFIG_FILE_NAME> | blastermaster <BLASTER_CONFIG_FILE_NAME> | ||
= Tips for users = | |||
You can create and save multiple blaster config files with different settings so long as they have different names (e.g. blaster_config_default.ini, blaster_config_add_no_hydrogens.ini). Then it is easy to reuse the same configuration settings at a later time. | You can create and save multiple blaster config files with different settings so long as they have different names (e.g. blaster_config_default.ini, blaster_config_add_no_hydrogens.ini). Then it is easy to reuse the same configuration settings at a later time. | ||
Revision as of 07:08, 16 March 2022
Using Blastermaster 2.0
0. Copy the blaster config file to your directory
Copy your rec.pdb and xtal-lig.pdb files to your directory. Blastermaster 2.0 will look for these in the directory in which you run it.
1. Source the BM2 environment
Gimel5:
source /nfs/soft2/ian/env.sh
Wynton:
# TODO
2. Generate a blaster config file to your directory
The following will generate a file called "blaster_config.ini"
blasterconfig
The following will generate a file called whatever you put for <BLASTER_CONFIG_FILE_NAME>
blasterconfig <BLASTER_CONFIG_FILE_NAME>
3. Edit the blaster config file to your specifications
vi <BLASTER_CONFIG_FILE_NAME>
To enter edit-mode, press "i".
Make your edits.
When you're done, press "ESC" to exit edit-mode.
Press "x!" followed by "RETURN" to save your edits and exit the text editor.
4. Run BM2
blastermaster <BLASTER_CONFIG_FILE_NAME>
Tips for users
You can create and save multiple blaster config files with different settings so long as they have different names (e.g. blaster_config_default.ini, blaster_config_add_no_hydrogens.ini). Then it is easy to reuse the same configuration settings at a later time.