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Proof reading of docs #21

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6 changes: 3 additions & 3 deletions docs/auto.md
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@@ -1,6 +1,6 @@
# Automation in Bept (auto)

Bept provides a way to automate your commands and save them for future references. This is done through the `auto` command in Bept. The `auto` command has the following features.
Bept provides a way to automate your commands and save them for future references. This is done through the `auto` command in Bept. The `auto` command has the following features:

## 1. Run one PDB2PQR and APBS at a time

Expand All @@ -24,7 +24,7 @@ bept auto -f commands.txt

The format of the `commands.txt` file should be as follows:

- Each line should be in itself a command executable
- Each line should be an executable command
- The file paths should be correct w.r.t the current working directory

You can interactively run each command one by one by adding the interactive flag `-i` to the command.
Expand All @@ -33,7 +33,7 @@ You can interactively run each command one by one by adding the interactive flag
bept auto -f commands.txt -i
```

If you want to say halt the execution of the commands at any command specified, you can add ` :?` in between any command in the file, the execution will go into interactive mode just for that command.
If you want to say halt the execution of the commands at any specified command, you can add ` :?` in between any command in the file, the execution will go into interactive mode just for that command.
Example - `apbs :? protein.in`.

Note that the ` :?` token is meant to be edited. It is not a command line flag in itself. However for `pdb2pqr` command, if you run `pdb2pqr --your-flags protein.pdb :?`, it will still work, since `pdb2pqr` will interpret it as the output path for `pqr` file.
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6 changes: 2 additions & 4 deletions docs/gen.md
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Expand Up @@ -16,8 +16,6 @@ Say you have a protein PDB file called `protein.pdb`. You can interactively gene
bept gen -p protein.pdb
```

The

The output will be `protein.pqr` file.

## APBS
Expand Down Expand Up @@ -46,10 +44,10 @@ To run the interactive APBS input file generator -
bept gen -i input_file_path.in
```

- The input file path can be relative to current working diretory or absolute path, the toml files will be generated in the same directory as the input file. However, the output .in file will be generated in the current working directory.
- The input file path can either be relative to current working diretory or be an absolute path, the toml files will be generated in the same directory as the input file. However, the output .in file will be generated in the current working directory.
- You can use the keyboard bindings in the footer to change between tabs(i for Input, m for Misc Options, o for Output Options)/widgets(\<TAB> for next widget, <SHIFT+TAB> for previous widget).

Here is detailed information about the each option in the APBS interactive mode has. You can also checkout official documentation for apbs_input file [here](https://ics.uci.edu/~dock/manuals/apbs/html/user-guide/x674.html) for more information.
Here is detailed information about each of the options APBS interactive mode has. You can also checkout the official documentation for apbs_input file [here](https://ics.uci.edu/~dock/manuals/apbs/html/user-guide/x674.html) for more information.

### Interactive APBS input file generator. It runs the InputApp.

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2 changes: 1 addition & 1 deletion docs/history.md
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Expand Up @@ -6,7 +6,7 @@ Here are the following features of the `history` command in Bept.

## 1. View and Execute

You can view the history of the `pdb2pqr` and `apbs` you have run in the past using the `history` command. The command will show you the list of commands using `beaupy`, which you can select and perform operations on. You have to mention `-a` or `-p` flag to view the history of `apbs` or `pdb2pqr` commands respectively.
You can view the history of the `pdb2pqr` and `apbs` commands you have run in the past using the `history` command. The command will show you the list of commands using `beaupy`, which you can select and perform operations on. You have to mention `-a` or `-p` flag to view the history of `apbs` or `pdb2pqr` commands respectively.

Note that, running the commands in history has been divided into functionalities such as `add new command`, `edit command`, `execute command`, `save command` and `delete command`. This is meant so that you may want to keep your history intact yet just want to execute a command with minor tweaks. If you are adding a new command, please make sure to check `edit`, `save` and `execute`(to execute) boxes.

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2 changes: 1 addition & 1 deletion docs/intro.md
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Expand Up @@ -12,7 +12,7 @@ These documentations are meant to help you understand how to use the tool and a
- Generate the PQR, Potential DX and BEPT special `.bept` file containing all the information you need for a protein.
- Automate the process of running PDB2PQR and APBS with optional interactive modes.
- Save your `.in` files in cache for future references.
- Save your PDB2PQR commands in history so you no need to generate it again.
- Save your PDB2PQR commands in history so you do not need to generate it again.
- Read the docs of the tool directly from the CLI in an interactive way.
- Experience bept's extreme user-friendliness, color-coded outputs and error handling and make Electrostatics analysis a breeze!

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2 changes: 1 addition & 1 deletion docs/out.md
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# Output files (out)

The `out` command is meant for writing output files. Bept provides two default output files which is always outputted. These are `.bept` and a `{NAME}_bept.csv` file which consists of ALL the information about each atom present in the structure.
The `out` command is meant for writing output files. Bept provides two default output files which are always outputted. These are `.bept` and a `{NAME}_bept.csv` file which consists of ALL the information about each atom present in the structure.

The `out` command inputs two files COMPULSARILY which are `.pqr` and `.dx` file of the protein structure which you can obtain with the help of other COMMANDS of bept.

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