diff --git a/README.md b/README.md index 74a8cb5..3fe6903 100644 --- a/README.md +++ b/README.md @@ -53,12 +53,7 @@ git clone https://git.mki.or.id/coredev/cmmde ```bash cd cmmde ``` -3. Install the code: -```bash -chmod +x install.sh -./install.sh -``` -4. Jika ditemukan _error_: +3. Jika ditemukan _error_: ```bash FileNotFoundError: [Errno 2] No such file or directory: '/usr/bin/pip3.9' ``` @@ -66,3 +61,14 @@ Lakukan: ```bash ln -s /usr/bin/pip /usr/bin/pip3.9 ``` +4. Jika ingin menjalankan program cmmde-gui: +```bash +cd cmmde_gui +panel serve gui.py --autoreload +``` + +## Catatan +Jika hanya ingin menginstall CMMDE versi _text-based_, cukup lakukan langkah 1-3. Langkah 4 hanya dilakukan jika ingin menjalankan CMMDE versi _graphical user interface_. Namun versi ini perlu menginstall `panel-chemistry versi 0.0.11`. +```bash + pip install -Iv panel-chemistry==0.0.11 +``` diff --git a/cmmde_gui/gui.py b/cmmde_gui/gui.py index 62b8091..14e6064 100755 --- a/cmmde_gui/gui.py +++ b/cmmde_gui/gui.py @@ -280,7 +280,7 @@ def cmmde_gui(): with open('cmmd.xyz','r') as f: xyz = f.read() xyzview.addModel(xyz,'xyz') - xyzview.setStyle('stick') + xyzview.setStyle({'stick':{},'sphere':{'scale':.30}},viewer=(0,0)) xyzview.zoomTo() xyzviewer.object = xyzview diff --git a/install.sh b/install.sh index c81b11c..8256deb 100755 --- a/install.sh +++ b/install.sh @@ -1,4 +1,5 @@ # Install the requirements +sudo apt install python3-pip pip install ase pymatgen gmxscript prettytable acpype MDAnalysis statsmodels ## Aktifkan dua baris di bawah jika anda ingin menginstall cmmde-gui. #pip install -Iv panel-chemistry==0.0.11