PyRx - minor problems

Python Prescription - Virtual Screening Tool

[PyRx is no longer developed at MGL]

Moderator: sargis

Forum rules
[PyRx is no longer developed at MGL]

PyRx - minor problems

Postby mswingle » Thu Apr 16, 2009 8:57 pm

I haven't really had time to try it out yet but PyRx looks like it's going to be a wonderful tool. Thank you!

I ran into two small issues after installation (on Debian Lenny).......first:

env was in /usr/bin, not in /bin (isn't it in /usr/bin for most linux distros?!?) so it was necessary to change the first line of run.sh from

#!/bin/env sh

to

#!/usr/bin/env sh

Second was a deficiency of my linux installation - I didn't have a 32-bit version of libsqlite3 installed. People using 64-bit distros should make sure that they have ia32-libs installed and have 32-bit versions of any necessary libraries in /emul ...at least until a 64-bit version of PyRx becomes available.

Regards,

Mark
User avatar
mswingle
Micromolar User
Micromolar User
 
Posts: 48
Joined: Thu Apr 16, 2009 7:31 pm

Re: PyRx - minor problems

Postby sargis » Thu Apr 16, 2009 10:58 pm

Thank you very much for the message Mark. I'll make this change in the script and add 32 bit version of libsqlite3 to linux binaries.

Thank you,
Sargis
User avatar
sargis
Picomolar User
Picomolar User
 
Posts: 583
Joined: Fri Oct 17, 2008 10:39 pm

Re: PyRx - minor problems

Postby mswingle » Fri Apr 17, 2009 12:33 am

Thanks for the reply!

The libsqlite3 issue wasn't that much of a problem - I just had to track down a deb that wasn't in the standard repositories for amd-64 Lenny. I've occasionally had issues like this with other software that I've tried out. I've probably installed ~6 (can't remember which, unfortunately :-) ) 32-bit libraries that weren't included in ia32-libs. It could be that some of those would also be problematic for 64-bit debian users. ....I wonder how standardized these 32-bit compatibility packages are between different distros? Maybe different distros will have different libraries missing.

So...AD4.1 is coming out soon? :D
User avatar
mswingle
Micromolar User
Micromolar User
 
Posts: 48
Joined: Thu Apr 16, 2009 7:31 pm

Re: PyRx - minor problems

Postby sargis » Fri Apr 17, 2009 4:20 pm

mswingle wrote: So...AD4.1 is coming out soon?

AD4.1 and MGLTools 1.5.4 that goes with it will be available in a month or so.

Thank you!
User avatar
sargis
Picomolar User
Picomolar User
 
Posts: 583
Joined: Fri Oct 17, 2008 10:39 pm


Return to PyRx

Who is online

Users browsing this forum: No registered users and 4 guests

cron