How to use Blastermaster 2.0 on UCSF computers: Difference between revisions
Jump to navigation
Jump to search
No edit summary |
No edit summary |
||
| Line 1: | Line 1: | ||
== | == Using BM2 == | ||
== 0. Copy the blaster config file to your directory == | == 0. Copy the blaster config file to your directory == | ||
| Line 5: | Line 5: | ||
== 1. Source the BM2 environment == | == 1. Source the BM2 environment == | ||
Gimel5: | |||
source /nfs/soft2/ian/env.sh | source /nfs/soft2/ian/env.sh | ||
Wynton: | |||
# TODO | |||
== 2. Copy the BM2 config file to your directory == | == 2. Copy the BM2 config file to your directory == | ||
Revision as of 20:03, 15 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. Copy the BM2 config file to your directory
cp $BM2_PATH/blaster_config.ini .
3. Edit the BM2 config file to your specifications
vi blaster_config.ini
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.ini
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.