How to use Blastermaster 2.0 on UCSF computers: Difference between revisions
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# TODO | # TODO | ||
== 2. | == 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 | == 3. Edit the blaster config file to your specifications == | ||
vi | vi <BLASTER_CONFIG_FILE_NAME> | ||
To enter edit-mode, press "i". | To enter edit-mode, press "i". | ||
| Line 25: | Line 28: | ||
== 4. Run BM2 == | == 4. Run BM2 == | ||
blastermaster | blastermaster <BLASTER_CONFIG_FILE_NAME> | ||
== Tips for users == | == 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 06:57, 16 March 2022
Using BM2
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.