Re: [PyMOL] msms_pymol.py

2010-05-18 Thread sujuan wang
> > Hi, Rob, > thank you for you reply and modification of the script. now Ican calculate the surface area. but when I calculate the surface of part protein, it seem that the surface area including the surface adjacent with other residues, means the sum of two fragments is much larger than whole

[PyMOL] set up APBS in windows

2010-05-17 Thread sujuan wang
Hi, all I download APBS1.2.1bwin.zip,and release it. then run Apbs Tools in Pymol. after i choose the apbs binary location at /apbs-1.2.1/bin, there are some error as information following, I only find the install method for Linux, is there any way to set up apbs in Windows? OSError Exception in

Re: [PyMOL] msms_pymol.py

2010-05-12 Thread sujuan wang
Dear Robert, I downloaded the msms 2.6.1 from http://mgltools.scripps.edu/downloads#msms and installed into C:\Program Files\MSMS. But there are still something wrong after running the script: There seems to be a problem with the msms output Traceback (most recent call last): File "C:\Program

[PyMOL] msms_pymol.py

2010-05-11 Thread sujuan wang
Hi All, When I run the script download from http://pldserver1.biochem.queensu.ca/~rlc/work/pymol/, I issue the commond: calc_msms_area 2mlt-melittin, there are always something wrong as follows: CmdLoad: "D:/singapore-NTU/HU/modelling/2MLT-melittin.pdb" loaded as "2MLT-melittin". PyMOL>run C:/Prog

[PyMOL] msms_pymol.py

2010-05-11 Thread sujuan wang
Hi All, When i run the script download from http://pldserver1.biochem.queensu.ca/~rlc/work/pymol/, I issue the commond: calc_msms_area 2mlt-melittin, there are always something wrong as follows: CmdLoad: "D:/singapore-NTU/HU/modelling/2MLT-melittin.pdb" loaded as "2MLT-melittin". PyMOL>run C:/Prog