Re: [PyMOL] efficiency assigning b-factors

2015-06-16 Thread Robert Campbell
Hi Jordan et al., Yes one can use the alter command with a whole selection at once and it is much faster. I hadn't realized that until Thomas Holder helped fix my script that appears to do what you were wanting to do: http://pldserver1.biochem.queensu.ca/~rlc/work/pymol/data2bfactor.py The

Re: [PyMOL] efficiency assigning b-factors

2015-06-16 Thread Sampson, Jared
Hi Jordan - I think you're doing it exactly the way I would, given an existing dict containing the values. Note, however, that if you have multiple loaded, or multiple chains with the same residue numbers, you may wish to be more specific with your selection string; your current script will

Re: [PyMOL] efficiency assigning b-factors

2015-06-16 Thread Tsjerk Wassenaar
Hi Jordan, Yes, although I don't have the answer at hand, it has been given on the user list several times. You can find it in the archives. Cheers, Tsjerk On Jun 16, 2015 08:16, Jordan Willis jwillis0...@gmail.com wrote: Hi, I have a dictionary that has a bunch of values I want to assign

Re: [PyMOL] efficiency assigning b-factors

2015-06-16 Thread Jordan Willis
Hi Tsjerk, It seems everyone is pointing to this (http://www.pymolwiki.org/index.php/Color#Reassigning_B-Factors_and_Coloring http://www.pymolwiki.org/index.php/Color#Reassigning_B-Factors_and_Coloring) which I somehow missed. However, they seem to be altering one residue at a time like I’m

Re: [PyMOL] efficiency assigning b-factors

2015-06-16 Thread Tsjerk Wassenaar
Hi Jordan, The answer is something like (assuming reading from a file): newb=[float(i) for i in open(stuff.dat).read().split()] alter n. ca, b=newb.pop() spectrum b Hope it helps, Tsjerk On Tue, Jun 16, 2015 at 10:25 AM, Jordan Willis jwillis0...@gmail.com wrote: Hi Tsjerk, It seems