linux下怎么安装和使用ledock

fireflying

年华 发表于 2016-12-5 16:53
谢谢老师，使用的是 Scientific Linux release 6.5 (Carbon)系统，运行教程里的例子也是这样的情况。大约 ...

Did you get any output? Any docking pose?

If you simply run

ledock

Does the program exit after showing some information on the screen?

This could be due to incompatible library.

年华

fireflying 发表于 2016-12-5 18:48
Did you get any output? Any docking pose?

If you simply run

yeah, there will be a .dok file, and many docking poses.
when i simply run ledock, it will show this :
bash-4.1$ ledock
************************************************************
*       LeDock v1.0                                        *
*       Molecular Docking Tool                             *
*       Copyright (C) 2013 Lephar Research                 *
*       www.lephar.com                                     *
************************************************************
--------Usage:
--------ledock config.file    !docking
--------ledock -spli dok.file !split into separate coordinates

and when i run ledock -spli 222.dok , it could run and exit.
Is this a serious problem ? what should i do?

fireflying

年华 发表于 2016-12-6 09:30
yeah, there will be a .dok file, and many docking poses.
when i simply run ledock, it will show th ...

很可能是系统的lib库比较老。升级linux就可以。不方便升级的话，也没什么问题。ledock应该不至于引起内存泄露。

年华

fireflying 发表于 2016-12-7 01:48
很可能是系统的lib库比较老。升级linux就可以。不方便升级的话，也没什么问题。ledock应该不至于引起内存 ...

好的，谢谢老师~