[104] Implemented hydrogen bond visualization

Python Prescription - Virtual Screening Tool

[104] Implemented hydrogen bond visualization

Postby RaduT » Fri Jul 01, 2011 9:29 am

Hello Sargis,

I just installed PyRx 08 on a new PC (Win7 64x) and everything it worked fain until I tried to update the software. I received an error (it can't find a path - I wasn't inspired to take a print screen) and when I tried again to run the update, I was informed that my PyRx is up to date.
Te only problem (until now) is that I can't see the button for [104] Implemented hydrogen bond visualization (http://sourceforge.net/apps/trac/pyrx/roadmap).

Can you help me, RaduT
User avatar
RaduT
Micromolar User
Micromolar User
 
Posts: 10
Joined: Sat Oct 16, 2010 3:17 pm
Location: Ramnicu Valcea, VL, Romania

Re: [104] Implemented hydrogen bond visualization

Postby sargis » Fri Jul 01, 2011 3:59 pm

RaduT wrote:I just installed PyRx 08 on a new PC (Win7 64x) and everything it worked fain until I tried to update the software. I received an error (it can't find a path - I wasn't inspired to take a print screen) and when I tried again to run the update, I was informed that my PyRx is up to date.

Thanks for the message and sorry about the problem with update. The update mechanism is currently broken for Win PCs and it will be fixed in the next release (if I can find spare time to make one).

RaduT wrote:Te only problem (until now) is that I can't see the button for [104] Implemented hydrogen bond visualization (http://sourceforge.net/apps/trac/pyrx/roadmap).

Hydrogen bond visualization is nor provided with updates. However, you can apply these changeset yourself if you are a power user. See, for instance, Problem with Changeset 89. See also this very nice blog post by Dr. Noel O'Boyle PyRx - AutoDocking made simple

Thank you for using PyRx!
User avatar
sargis
Site Admin
Site Admin
 
Posts: 399
Joined: Fri Oct 17, 2008 10:39 pm

Re: [104] Implemented hydrogen bond visualization

Postby RaduT » Fri Jul 01, 2011 8:08 pm

Hydrogen bond visualization is nor provided with updates. However, you can apply these changeset yourself if you are a power user. See, for instance, Problem with Changeset 89. See also this very nice blog post by Dr. Noel O'Boyle PyRx - AutoDocking made simple

Then I will try to become a power user... :geek:

Meanwhile, I'm experiencing a plotting error (docking is fine... and very fast :D ):

Traceback (most recent call last):
File "C:\Program Files (x86)\PyRx\lib\site-packages\PyRx\database.py", line 188, in OnPlot
ShowPlotDialog(self)
File "C:\Program Files (x86)\PyRx\lib\site-packages\PyRx\dbPlot.py", line 415, in ShowPlotDialog
dlg = DBPlotDialog(parent)
File "C:\Program Files (x86)\PyRx\lib\site-packages\PyRx\dbPlot.py", line 189, in __init__
fpb.FPB_DEFAULT_STYLE | fpb.FPB_VERTICAL)
AttributeError: 'module' object has no attribute 'FPB_DEFAULT_STYLE'


Sorry for bothering you again,
RaduT.
User avatar
RaduT
Micromolar User
Micromolar User
 
Posts: 10
Joined: Sat Oct 16, 2010 3:17 pm
Location: Ramnicu Valcea, VL, Romania

Re: [104] Implemented hydrogen bond visualization

Postby sargis » Fri Jul 01, 2011 8:24 pm

RaduT wrote:
Hydrogen bond visualization is nor provided with updates. However, you can apply these changeset yourself if you are a power user. See, for instance, Problem with Changeset 89. See also this very nice blog post by Dr. Noel O'Boyle PyRx - AutoDocking made simple


Meanwhile, I'm experiencing a plotting error (docking is fine... and very fast :D ):

Traceback (most recent call last):
File "C:\Program Files (x86)\PyRx\lib\site-packages\PyRx\database.py", line 188, in OnPlot
ShowPlotDialog(self)
File "C:\Program Files (x86)\PyRx\lib\site-packages\PyRx\dbPlot.py", line 415, in ShowPlotDialog
dlg = DBPlotDialog(parent)
File "C:\Program Files (x86)\PyRx\lib\site-packages\PyRx\dbPlot.py", line 189, in __init__
fpb.FPB_DEFAULT_STYLE | fpb.FPB_VERTICAL)
AttributeError: 'module' object has no attribute 'FPB_DEFAULT_STYLE'


Thanks Radu. This has been already discussed in Error when trying to create plots.

Please visit the following page I posted earlier and follow step (3) to fix this:
http://baoilleach.blogspot.com/2011/04/ ... imple.html

Thanks!
User avatar
sargis
Site Admin
Site Admin
 
Posts: 399
Joined: Fri Oct 17, 2008 10:39 pm

Re: [104] Implemented hydrogen bond visualization

Postby RaduT » Sat Jul 02, 2011 4:37 am

This has been already discussed in Error when trying to create plots.

Please visit the following page I posted earlier and follow step (3) to fix this:
http://baoilleach.blogspot.com/2011/04/ ... imple.html


Problem solved! Many thanks!
RaduT
User avatar
RaduT
Micromolar User
Micromolar User
 
Posts: 10
Joined: Sat Oct 16, 2010 3:17 pm
Location: Ramnicu Valcea, VL, Romania


Return to PyRx

Who is online

Users browsing this forum: No registered users and 3 guests

cron