Skip to content

Commit 913f71e

Browse files
committed
Update README.md
1 parent 769faa0 commit 913f71e

File tree

1 file changed

+24
-4
lines changed

1 file changed

+24
-4
lines changed

README.md

Lines changed: 24 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -57,12 +57,17 @@ If not specified, the current directory (`.`) is used by default.
5757

5858
## Command Logging
5959

60-
Every command executed by `rc` is automatically logged to an appropriate log file. This provides:
60+
Every command executed by `rc` is automatically logged to `<working-dir>/.NNNN.rc.log`, where `NNNN` is a sequential number incremented with each command run in that directory. This provides:
6161
- **Reproducibility** - Review and replay exact commands that were run
6262
- **Debugging** - Trace what commands were executed in case of issues
6363
- **Documentation** - Keep a record of all operations performed
6464

65-
The log files are stored in the working directory and contain the full command line that was executed, including all arguments passed to the containerized application.
65+
Each log file contains:
66+
- The exact command line used to invoke `rc`
67+
- Full output logs from the executed application
68+
- Timestamp and execution details
69+
70+
For example, your first run creates `.0000.rc.log`, the second creates `.0001.rc.log`, and so on.
6671

6772
## Commands
6873

@@ -98,7 +103,7 @@ Clean an app installation (not yet implemented).
98103
rc clean <APP>
99104
```
100105

101-
## Examples
106+
## App Usage Examples
102107

103108
### Score a single structure
104109

@@ -108,6 +113,21 @@ rc run rosetta score \
108113
-in:file:s my_protein.pdb
109114
```
110115

116+
### Running PyRosetta Scripts
117+
118+
Execute PyRosetta Python scripts directly using the `-c` flag for inline code:
119+
120+
```bash
121+
rc run pyrosetta -c 'import pyrosetta; pyrosetta.init(); pose=pyrosetta.pose_from_pdb("1brs.pdb"); print("SCORE:", pyrosetta.get_score_function()(pose) )'
122+
```
123+
124+
Or run a Python script file:
125+
126+
```bash
127+
rc run pyrosetta my-pyrosetta-script.py
128+
```
129+
130+
111131
### Using with different working directory
112132

113133
```bash
@@ -144,4 +164,4 @@ See LICENSE file for details.
144164

145165
## Author
146166

147-
Sergey Lyskov
167+
Sergey Lyskov

0 commit comments

Comments
 (0)