Skip to content

Commit 9fd6d98

Browse files
authored
Merge pull request #237 from maflister/update-schrod
Update schrodinger version and guidance
2 parents 357c602 + 110cc2d commit 9fd6d98

File tree

1 file changed

+8
-24
lines changed

1 file changed

+8
-24
lines changed

docs/software/schrodinger.md

Lines changed: 8 additions & 24 deletions
Original file line numberDiff line numberDiff line change
@@ -1,11 +1,8 @@
11
---
2-
version: 2025-1
2+
version: 2025-2
33
---
44
# Schrödinger
55

6-
!!! warning "Schrödinger licensing change"
7-
Starting in January 2025, Schrödinger's license mechanism changed. Please note that versions prior to 2024-2 are no longer be supported.
8-
96
!!! info "Schrödinger is licensed by the Department of Biochemistry and available to all MCW investigators."
107
Users interested in contributing funds or discussing Schrödinger licensing at MCW should contact [Dawn Wenzel](mailto://[email protected]) and [Brian Smith](mailto:[email protected]).
118

@@ -17,7 +14,10 @@ The [Schrödinger Small-Molecule Drug Discovery Suite](https://www.schrodinger.c
1714

1815
## Installation & Configuration
1916

20-
1. Download {{ version }} software from <https://www.schrodinger.com>{:target="_blank"} and run the installer.
17+
1. Download the {{ version }} software from <https://www.schrodinger.com>{:target="_blank"} and run the installer.
18+
19+
!!! warning "Version requirements"
20+
RCC currently supports version 2024-4 and above. We strongly suggest to install and use the current version documented here.
2121

2222
2. Locate the schrodinger.hosts file:
2323

@@ -35,23 +35,7 @@ The [Schrödinger Small-Molecule Drug Discovery Suite](https://www.schrodinger.c
3535

3636
3. Download the [server schrodinger.hosts file](https://mcw0.sharepoint.com/:u:/s/RCCAdminSite/EVyOb95k5kZDloutBAZ39aMBrPHOuvM6tnId7bDkib5tRQ?e=KndObE){:target="_blank"}. Add the text from the downloaded file to your schrodinger.hosts file (you located in step #2). Replace **NetID** with your MCW username and save the file.
3737

38-
4. If using 2024-2, enable new Schrödinger License Manager (enabled by default on 2024-3 and above):
39-
40-
=== "Windows"
41-
42-
Open a Schrödinger Command Prompt or Schrödinger Power Shell and enter:
43-
```
44-
feature_flags -e SCHRODINGER_LICENSE_MANAGER
45-
```
46-
47-
=== "Mac"
48-
49-
Open a terminal and enter:
50-
```
51-
/opt/schrodinger/suites2024-3/utilities/feature_flags -e SCHRODINGER_LICENSE_MANAGER
52-
```
53-
54-
5. Add the license server on your computer:
38+
4. Configure the software to connect the license server:
5539

5640
=== "Windows"
5741

@@ -61,7 +45,7 @@ The [Schrödinger Small-Molecule Drug Discovery Suite](https://www.schrodinger.c
6145

6246
Open the **Configuration** tool and select **Server Identifiers**. Enter the hostname and port found in [licensing info](https://mcw0.sharepoint.com/:o:/s/RCCAdminSite/EmJ7D-fDCv1Dg0f_Z-_d0tsBR8_trGnDiqZaod6mUPjo8A?e=GdWCGP){:target="_blank"} and select **Install License**.
6347

64-
6. Setup remote connection to the cluster:
48+
5. Setup remote connection to the cluster:
6549

6650
=== "Windows"
6751

@@ -71,7 +55,7 @@ The [Schrödinger Small-Molecule Drug Discovery Suite](https://www.schrodinger.c
7155

7256
Configure password-less SSH for remote login. Open a terminal and follow [this guide](http://www.linuxproblem.org/art_9.html){:target="_blank"}.
7357

74-
7. Launch the Maestro application.
58+
6. Launch the Maestro application.
7559

7660
## Upgrading
7761

0 commit comments

Comments
 (0)